Re: relax on Mac with fink -- February 25, 2010 - 08:30

Hi,

These errors correspond in changes in the minfx package.  In the
future I think I will try to package minfx,
http://gna.org/projects/minfx/ (and bmrblib,
http://gna.org/projects/bmrblib/) with relax.  I don't know how this
could be done with fink though.  To have a local install of minfx
within the relax source tree, just go to the base relax directory and
type:

svn co http://svn.gna.org/svn/minfx/trunk/minfx

Then if you run the test suite, most of the problems should be gone.

Cheers,

Edward


On 25 February 2010 01:40, Jack Howarth <howarth@xxxxxxxxxxxxxxxx> wrote:
> On Wed, Feb 24, 2010 at 04:14:13PM +0100, Edward d'Auvergne wrote:
> > Ah, right, now I remember.  If there are any remaining failures in the
> > 1.3 line, it would be useful to have these all identified :)
> > Especially if someone has PowerPC Mac hardware as well.  I would like
> > to release relax-1.3.5 soon and it would be good to have a 100% pass
> > of the test-suite on both architectures.  Do you know what the
> > Scientific python issue Sebastian is seeing could be about?
> >
> > Cheers!
> >
> > Edward
>
> Current 1.3 branch shows additional regressions compared to 1.3.4 on
> x86_64 fink. The test results are...
>
>
> relax --test-suite
> Echoing of user function calls has been enabled.
>
>
>
>
> #############################
> # System / functional tests #
> #############################
>
>
> .............EE...........E..E...........E.......E...EEEEEE................EE......................................
> ======================================================================
> ERROR: Test the 'rigid' model for unrotated tensors with no motion.
> ----------------------------------------------------------------------
>
> relax> pipe.create(pipe_name='test', pipe_type='frame order')
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
> 1.47411211147e-05
>
> relax> pipe.create(pipe_name='rigid - no rotation', pipe_type='frame order')
>
> relax> align_tensor.init(tensor='a 0', params=(0.00014221982216882766, 
> -0.00014454300156652134, -0.00070779621164871397, -0.00060161949408277324, 
> 0.00020200800707295086), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 1', params=(-0.00014307694949297205, 
> -0.00039671919293883545, -0.00024724524395487659, 0.00031948292975139144, 
> 0.00018868359624777639), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 2', params=(-0.00022967898444150887, 
> -0.00027171643813494106, -0.00021961563147411279, 0.00010337393266477705, 
> 0.00029030226175831515), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 3', params=(0.00043690692358615301, 
> -0.00034379559287467062, -0.0001935969517168339, 0.00030194133983804048, 
> -6.3141622501644874e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 4', params=(-0.00026249527958822807, 
> 0.00073561736796410628, 6.3975419225898133e-05, 6.2788017118057252e-05, 
> 0.00020119758245770023), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 5', params=(0.00048180707211229368, 
> -0.00033930112217225942, 0.00011094068795736054, 0.00070350646902989675, 
> 0.00037537667271407202), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 6', params=(0.00035672066304092451, 
> -0.00026838578790208884, -0.00016936140664230585, 0.0001718737155150645, 
> -0.00030579015509609098), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 7', params=(0.00017061308478202151, 
> -0.00076455273118810512, -0.00052048809712606505, 0.00049258369866413403, 
> -0.00013905141064073534), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 8', params=(-0.00022193220790426714, 
> -0.00090073235703922686, 0.00050867766236886724, 0.00028215012727179065, 
> 0.0002562167583736733), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 9', params=(0.00037091020965736581, 
> -0.00012230875848954012, -0.00016247713611487416, -0.00042725170061841107, 
> 9.0103851318397532e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 0', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 0', domain='a')
>
> relax> align_tensor.init(tensor='a 1', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 1', domain='a')
>
> relax> align_tensor.init(tensor='a 2', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 2', domain='a')
>
> relax> align_tensor.init(tensor='a 3', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 3', domain='a')
>
> relax> align_tensor.init(tensor='a 4', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 4', domain='a')
>
> relax> align_tensor.init(tensor='a 5', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 5', domain='a')
>
> relax> align_tensor.init(tensor='a 6', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 6', domain='a')
>
> relax> align_tensor.init(tensor='a 7', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 7', domain='a')
>
> relax> align_tensor.init(tensor='a 8', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 8', domain='a')
>
> relax> align_tensor.init(tensor='a 9', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 9', domain='a')
>
> relax> align_tensor.init(tensor='b 0', params=(0.00014221982216882766, 
> -0.00014454300156652134, -0.00070779621164871397, -0.00060161949408277324, 
> 0.00020200800707295086), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 1', params=(-0.00014307694949297205, 
> -0.00039671919293883545, -0.00024724524395487659, 0.00031948292975139144, 
> 0.00018868359624777639), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 2', params=(-0.00022967898444150887, 
> -0.00027171643813494106, -0.00021961563147411279, 0.00010337393266477705, 
> 0.00029030226175831515), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 3', params=(0.00043690692358615301, 
> -0.00034379559287467062, -0.0001935969517168339, 0.00030194133983804048, 
> -6.3141622501644874e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 4', params=(-0.00026249527958822807, 
> 0.00073561736796410628, 6.3975419225898133e-05, 6.2788017118057252e-05, 
> 0.00020119758245770023), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 5', params=(0.00048180707211229368, 
> -0.00033930112217225942, 0.00011094068795736054, 0.00070350646902989675, 
> 0.00037537667271407202), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 6', params=(0.00035672066304092451, 
> -0.00026838578790208884, -0.00016936140664230585, 0.0001718737155150645, 
> -0.00030579015509609098), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 7', params=(0.00017061308478202151, 
> -0.00076455273118810512, -0.00052048809712606505, 0.00049258369866413403, 
> -0.00013905141064073534), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 8', params=(-0.00022193220790426714, 
> -0.00090073235703922686, 0.00050867766236886724, 0.00028215012727179065, 
> 0.0002562167583736733), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 9', params=(0.00037091020965736581, 
> -0.00012230875848954012, -0.00016247713611487416, -0.00042725170061841107, 
> 9.0103851318397532e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 0', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='b 0', domain='b')
>
> relax> align_tensor.init(tensor='b 1', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='b 1', domain='b')
>
> relax> align_tensor.init(tensor='b 2', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='b 2', domain='b')
>
> relax> align_tensor.init(tensor='b 3', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='b 3', domain='b')
>
> relax> align_tensor.init(tensor='b 4', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='b 4', domain='b')
>
> relax> align_tensor.init(tensor='b 5', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='b 5', domain='b')
>
> relax> align_tensor.init(tensor='b 6', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='b 6', domain='b')
>
> relax> align_tensor.init(tensor='b 7', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='b 7', domain='b')
>
> relax> align_tensor.init(tensor='b 8', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='b 8', domain='b')
>
> relax> align_tensor.init(tensor='b 9', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='b 9', domain='b')
>
> relax> align_tensor.reduction(full_tensor='a 0', red_tensor='b 0')
>
> relax> align_tensor.reduction(full_tensor='a 1', red_tensor='b 1')
>
> relax> align_tensor.reduction(full_tensor='a 2', red_tensor='b 2')
>
> relax> align_tensor.reduction(full_tensor='a 3', red_tensor='b 3')
>
> relax> align_tensor.reduction(full_tensor='a 4', red_tensor='b 4')
>
> relax> align_tensor.reduction(full_tensor='a 5', red_tensor='b 5')
>
> relax> align_tensor.reduction(full_tensor='a 6', red_tensor='b 6')
>
> relax> align_tensor.reduction(full_tensor='a 7', red_tensor='b 7')
>
> relax> align_tensor.reduction(full_tensor='a 8', red_tensor='b 8')
>
> relax> align_tensor.reduction(full_tensor='a 9', red_tensor='b 9')
>
> relax> frame_order.select_model(model='rigid')
>
> relax> frame_order.ref_domain(ref='a')
>
> relax> grid_search(lower=None, upper=None, inc=3, constraints=False, 
> verbosity=1)
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/frame_order.py", line 
> 124, in test_opt_rigid_no_rot
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'opt_rigid_no_rot.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/frame_order/opt_rigid_no_rot.py",
>  line 69, in <module>
>    grid_search(inc=GRID_INCS, constraints=False)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/frame_order.py", line 856, in 
> grid_search
>    self.minimise(min_algor='grid', min_options=grid, 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/frame_order.py", line 958, in 
> minimise
>    results = grid(func=target.func, args=(), incs=min_options, 
> verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'incs'
>
> ======================================================================
> ERROR: Test the 'rigid' model for randomly rotated tensors with no motion.
> ----------------------------------------------------------------------
>
> relax> pipe.create(pipe_name='test', pipe_type='frame order')
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='rigid', pipe_type='frame order')
>
> relax> 
> script(file='/sw/lib/relax-py26/test_suite/system_tests/scripts/frame_order/tensors_rigid_rand_rot.py',
>  quit=False)
> script = 
> '/sw/lib/relax-py26/test_suite/system_tests/scripts/frame_order/tensors_rigid_rand_rot.py'
> ----------------------------------------------------------------------------------------------------
> # Random rotation matrix:
> # [[ 0.33282568, -0.83581125,  0.43663098],
> #  [-0.92326661, -0.19462612,  0.33120905],
> #  [-0.19184846, -0.51336169, -0.83645319]]
> # Euler angles:
> # alpha: 5.0700283197712777
> # beta: 2.5615753919522359
> # gamma: 0.64895449611163691
>
>
> # The error value.
> error = 1.4741121114678945e-05
>
> # Load tensor 0.
> align_tensor.init(tensor='a 0', params=(0.00014221982216882766, 
> -0.00014454300156652134, -0.00070779621164871397, -0.00060161949408277324, 
> 0.00020200800707295083), param_types=0)
> align_tensor.init(tensor='b 0', params=(-1.3288330878574132e-05, 
> 0.00020354043164217626, -0.00046409902800134087, 0.0002493202418302213, 
> -0.00077964218698160488), param_types=0)
> align_tensor.init(tensor='a 0', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.init(tensor='b 0', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.set_domain(tensor='a 0', domain='a')
> align_tensor.set_domain(tensor='b 0', domain='b')
>
> # Load tensor 1.
> align_tensor.init(tensor='a 1', params=(-0.00014307694949297205, 
> -0.00039671919293883539, -0.00024724524395487659, 0.00031948292975139144, 
> 0.00018868359624777637), param_types=0)
> align_tensor.init(tensor='b 1', params=(-9.738292410013338e-05, 
> -0.00038634774864149617, -0.00027912458757344276, -0.00038171766743202567, 
> -0.00011588335825493787), param_types=0)
> align_tensor.init(tensor='a 1', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.init(tensor='b 1', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.set_domain(tensor='a 1', domain='a')
> align_tensor.set_domain(tensor='b 1', domain='b')
>
> # Load tensor 2.
> align_tensor.init(tensor='a 2', params=(-0.00022967898444150887, 
> -0.00027171643813494106, -0.00021961563147411279, 0.00010337393266477703, 
> 0.00029030226175831515), param_types=0)
> align_tensor.init(tensor='b 2', params=(-0.00017932499024246612, 
> -0.00033064833984871618, -0.00019167049464976276, -0.00018228662361670689, 
> -0.00024786515322241842), param_types=0)
> align_tensor.init(tensor='a 2', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.init(tensor='b 2', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.set_domain(tensor='a 2', domain='a')
> align_tensor.set_domain(tensor='b 2', domain='b')
>
> # Load tensor 3.
> align_tensor.init(tensor='a 3', params=(0.00043690692358615301, 
> -0.00034379559287467062, -0.00019359695171683388, 0.00030194133983804048, 
> -6.314162250164486e-05), param_types=0)
> align_tensor.init(tensor='b 3', params=(3.2029991098699158e-05, 
> 0.0001030927713217096, -0.00040609134800855906, -0.00027871118513542376, 
> 0.00018429705265751148), param_types=0)
> align_tensor.init(tensor='a 3', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.init(tensor='b 3', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.set_domain(tensor='a 3', domain='a')
> align_tensor.set_domain(tensor='b 3', domain='b')
>
> # Load tensor 4.
> align_tensor.init(tensor='a 4', params=(-0.00026249527958822807, 
> 0.00073561736796410628, 6.3975419225898133e-05, 6.2788017118057252e-05, 
> 0.00020119758245770023), param_types=0)
> align_tensor.init(tensor='b 4', params=(0.00023041655343338213, 
> -0.00028914097123516663, 8.5942868106736884e-05, 0.00057733961469646491, 
> 0.00023383246814246303), param_types=0)
> align_tensor.init(tensor='a 4', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.init(tensor='b 4', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.set_domain(tensor='a 4', domain='a')
> align_tensor.set_domain(tensor='b 4', domain='b')
>
> # Load tensor 5.
> align_tensor.init(tensor='a 5', params=(0.00048180707211229368, 
> -0.00033930112217225942, 0.00011094068795736053, 0.00070350646902989675, 
> 0.00037537667271407197), param_types=0)
> align_tensor.init(tensor='b 5', params=(-0.00034205987160777676, 
> -5.6563966889313711e-05, -0.00048729767346789097, -0.00020195965056872761, 
> 0.00064352392049120096), param_types=0)
> align_tensor.init(tensor='a 5', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.init(tensor='b 5', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.set_domain(tensor='a 5', domain='a')
> align_tensor.set_domain(tensor='b 5', domain='b')
>
> # Load tensor 6.
> align_tensor.init(tensor='a 6', params=(0.00035672066304092451, 
> -0.00026838578790208884, -0.00016936140664230585, 0.00017187371551506447, 
> -0.00030579015509609098), param_types=0)
> align_tensor.init(tensor='b 6', params=(0.00020255575866227554, 
> 0.00015766165657592193, -0.00022547338964377635, -0.00031137881231040781, 
> 9.8269840241030186e-05), param_types=0)
> align_tensor.init(tensor='a 6', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.init(tensor='b 6', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.set_domain(tensor='a 6', domain='a')
> align_tensor.set_domain(tensor='b 6', domain='b')
>
> # Load tensor 7.
> align_tensor.init(tensor='a 7', params=(0.00017061308478202151, 
> -0.00076455273118810501, -0.00052048809712606505, 0.00049258369866413392, 
> -0.00013905141064073534), param_types=0)
> align_tensor.init(tensor='b 7', params=(0.00013226613079678079, 
> -0.00028875805425577231, -0.00055280116463899331, -0.00079483102252618661, 
> -0.00012673098706816532), param_types=0)
> align_tensor.init(tensor='a 7', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.init(tensor='b 7', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.set_domain(tensor='a 7', domain='a')
> align_tensor.set_domain(tensor='b 7', domain='b')
>
> # Load tensor 8.
> align_tensor.init(tensor='a 8', params=(-0.00022193220790426714, 
> -0.00090073235703922686, 0.00050867766236886724, 0.00028215012727179065, 
> 0.0002562167583736733), param_types=0)
> align_tensor.init(tensor='b 8', params=(-0.00082779604132576475, 
> -0.0001229250183977039, 0.00026827297822125086, -0.00076816617763492308, 
> 1.787549543771558e-05), param_types=0)
> align_tensor.init(tensor='a 8', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.init(tensor='b 8', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.set_domain(tensor='a 8', domain='a')
> align_tensor.set_domain(tensor='b 8', domain='b')
>
> # Load tensor 9.
> align_tensor.init(tensor='a 9', params=(0.00037091020965736575, 
> -0.00012230875848954012, -0.00016247713611487416, -0.00042725170061841107, 
> 9.0103851318397519e-05), param_types=0)
> align_tensor.init(tensor='b 9', params=(-0.00019129846420341554, 
> 0.00047556140822968502, -0.0001921404751338773, 0.00021386940177866865, 
> -0.00026418197641736997), param_types=0)
> align_tensor.init(tensor='a 9', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.init(tensor='b 9', params=(error, error, error, error, error), 
> param_types=0, errors=True)
> align_tensor.set_domain(tensor='a 9', domain='a')
> align_tensor.set_domain(tensor='b 9', domain='b')
> ----------------------------------------------------------------------------------------------------
>
> relax> align_tensor.init(tensor='a 0', params=(0.00014221982216882766, 
> -0.00014454300156652134, -0.00070779621164871397, -0.00060161949408277324, 
> 0.00020200800707295083), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 0', params=(-1.3288330878574132e-05, 
> 0.00020354043164217626, -0.00046409902800134087, 0.0002493202418302213, 
> -0.00077964218698160488), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 0', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.init(tensor='b 0', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 0', domain='a')
>
> relax> align_tensor.set_domain(tensor='b 0', domain='b')
>
> relax> align_tensor.init(tensor='a 1', params=(-0.00014307694949297205, 
> -0.00039671919293883539, -0.00024724524395487659, 0.00031948292975139144, 
> 0.00018868359624777637), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 1', params=(-9.738292410013338e-05, 
> -0.00038634774864149617, -0.00027912458757344276, -0.00038171766743202567, 
> -0.00011588335825493787), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 1', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.init(tensor='b 1', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 1', domain='a')
>
> relax> align_tensor.set_domain(tensor='b 1', domain='b')
>
> relax> align_tensor.init(tensor='a 2', params=(-0.00022967898444150887, 
> -0.00027171643813494106, -0.00021961563147411279, 0.00010337393266477703, 
> 0.00029030226175831515), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 2', params=(-0.00017932499024246612, 
> -0.00033064833984871618, -0.00019167049464976276, -0.00018228662361670689, 
> -0.00024786515322241842), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 2', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.init(tensor='b 2', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 2', domain='a')
>
> relax> align_tensor.set_domain(tensor='b 2', domain='b')
>
> relax> align_tensor.init(tensor='a 3', params=(0.00043690692358615301, 
> -0.00034379559287467062, -0.00019359695171683388, 0.00030194133983804048, 
> -6.314162250164486e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 3', params=(3.2029991098699158e-05, 
> 0.0001030927713217096, -0.00040609134800855906, -0.00027871118513542376, 
> 0.00018429705265751148), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 3', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.init(tensor='b 3', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 3', domain='a')
>
> relax> align_tensor.set_domain(tensor='b 3', domain='b')
>
> relax> align_tensor.init(tensor='a 4', params=(-0.00026249527958822807, 
> 0.00073561736796410628, 6.3975419225898133e-05, 6.2788017118057252e-05, 
> 0.00020119758245770023), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 4', params=(0.00023041655343338213, 
> -0.00028914097123516663, 8.5942868106736884e-05, 0.00057733961469646491, 
> 0.00023383246814246303), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 4', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.init(tensor='b 4', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 4', domain='a')
>
> relax> align_tensor.set_domain(tensor='b 4', domain='b')
>
> relax> align_tensor.init(tensor='a 5', params=(0.00048180707211229368, 
> -0.00033930112217225942, 0.00011094068795736053, 0.00070350646902989675, 
> 0.00037537667271407197), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 5', params=(-0.00034205987160777676, 
> -5.6563966889313711e-05, -0.00048729767346789097, -0.00020195965056872761, 
> 0.00064352392049120096), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 5', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.init(tensor='b 5', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 5', domain='a')
>
> relax> align_tensor.set_domain(tensor='b 5', domain='b')
>
> relax> align_tensor.init(tensor='a 6', params=(0.00035672066304092451, 
> -0.00026838578790208884, -0.00016936140664230585, 0.00017187371551506447, 
> -0.00030579015509609098), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 6', params=(0.00020255575866227554, 
> 0.00015766165657592193, -0.00022547338964377635, -0.00031137881231040781, 
> 9.8269840241030186e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 6', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.init(tensor='b 6', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 6', domain='a')
>
> relax> align_tensor.set_domain(tensor='b 6', domain='b')
>
> relax> align_tensor.init(tensor='a 7', params=(0.00017061308478202151, 
> -0.00076455273118810501, -0.00052048809712606505, 0.00049258369866413392, 
> -0.00013905141064073534), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 7', params=(0.00013226613079678079, 
> -0.00028875805425577231, -0.00055280116463899331, -0.00079483102252618661, 
> -0.00012673098706816532), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 7', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.init(tensor='b 7', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 7', domain='a')
>
> relax> align_tensor.set_domain(tensor='b 7', domain='b')
>
> relax> align_tensor.init(tensor='a 8', params=(-0.00022193220790426714, 
> -0.00090073235703922686, 0.00050867766236886724, 0.00028215012727179065, 
> 0.0002562167583736733), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 8', params=(-0.00082779604132576475, 
> -0.0001229250183977039, 0.00026827297822125086, -0.00076816617763492308, 
> 1.787549543771558e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 8', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.init(tensor='b 8', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 8', domain='a')
>
> relax> align_tensor.set_domain(tensor='b 8', domain='b')
>
> relax> align_tensor.init(tensor='a 9', params=(0.00037091020965736575, 
> -0.00012230875848954012, -0.00016247713611487416, -0.00042725170061841107, 
> 9.0103851318397519e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='b 9', params=(-0.00019129846420341554, 
> 0.00047556140822968502, -0.0001921404751338773, 0.00021386940177866865, 
> -0.00026418197641736997), scale=1.0, angle_units='deg', param_types=0, 
> errors=False)
>
> relax> align_tensor.init(tensor='a 9', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.init(tensor='b 9', params=(1.4741121114678945e-05, 
> 1.4741121114678945e-05, 1.4741121114678945e-05, 1.4741121114678945e-05, 
> 1.4741121114678945e-05), scale=1.0, angle_units='deg', param_types=0, 
> errors=True)
>
> relax> align_tensor.set_domain(tensor='a 9', domain='a')
>
> relax> align_tensor.set_domain(tensor='b 9', domain='b')
>
>
> relax> align_tensor.reduction(full_tensor='a 0', red_tensor='b 0')
>
> relax> align_tensor.reduction(full_tensor='a 1', red_tensor='b 1')
>
> relax> align_tensor.reduction(full_tensor='a 2', red_tensor='b 2')
>
> relax> align_tensor.reduction(full_tensor='a 3', red_tensor='b 3')
>
> relax> align_tensor.reduction(full_tensor='a 4', red_tensor='b 4')
>
> relax> align_tensor.reduction(full_tensor='a 5', red_tensor='b 5')
>
> relax> align_tensor.reduction(full_tensor='a 6', red_tensor='b 6')
>
> relax> align_tensor.reduction(full_tensor='a 7', red_tensor='b 7')
>
> relax> align_tensor.reduction(full_tensor='a 8', red_tensor='b 8')
>
> relax> align_tensor.reduction(full_tensor='a 9', red_tensor='b 9')
>
> relax> frame_order.select_model(model='rigid')
>
> relax> frame_order.ref_domain(ref='a')
>
> relax> grid_search(lower=None, upper=None, inc=6, constraints=True, 
> verbosity=1)
> RelaxWarning: Constraints are as of yet not implemented - turning this 
> option off.
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/frame_order.py", line 
> 141, in test_opt_rigid_rand_rot
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'opt_rigid_rand_rot.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/frame_order/opt_rigid_rand_rot.py",
>  line 23, in <module>
>    grid_search(inc=6)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/frame_order.py", line 856, in 
> grid_search
>    self.minimise(min_algor='grid', min_options=grid, 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/frame_order.py", line 958, in 
> minimise
>    results = grid(func=target.func, args=(), incs=min_options, 
> verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'incs'
>
> ======================================================================
> ERROR: Test catching bugs #12582, #12591 and #12607 as submitted by Chris 
> Brosey.
> ----------------------------------------------------------------------
>
> relax> pipe.create(pipe_name='mf', pipe_type='mf')
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='tm0', pipe_type='mf')
>
> relax> sequence.read(file='noe.500.out', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
>  spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2, 
> spin_num_col=None, spin_name_col=None, sep=None, spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out'
>  for reading.
>
>
>
> relax> relax_data.read(ri_label='R1', frq_label='500', frq=500208000.0, 
> file='r1.500.out', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
>  spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2, 
> spin_num_col=None, spin_name_col=None, data_col=3, error_col=4, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r1.500.out'
>  for reading.
>
> relax> relax_data.read(ri_label='R2', frq_label='500', frq=500208000.0, 
> file='r2.500.out', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
>  spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2, 
> spin_num_col=None, spin_name_col=None, data_col=3, error_col=4, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r2.500.out'
>  for reading.
>
> relax> relax_data.read(ri_label='NOE', frq_label='500', frq=500208000.0, 
> file='noe.500.out', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
>  spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2, 
> spin_num_col=None, spin_name_col=None, data_col=3, error_col=4, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out'
>  for reading.
>
> relax> value.set(val=1.0200000000000001e-10, param='bond_length', 
> spin_id=None)
>
> relax> value.set(val=-0.00017199999999999998, param='csa', spin_id=None)
>
> relax> value.set(val='15N', param='heteronucleus', spin_id=None)
>
> relax> value.set(val='1H', param='proton', spin_id=None)
>
> relax> model_free.select_model(model='tm0', spin_id=None)
>
> relax> grid_search(lower=None, upper=None, inc=11, constraints=True, 
> verbosity=1)
>
>
> Over-fit spin deselection.
>
> RelaxWarning: The spin ':1&:GLY' has been deselected because of 
> insufficient relaxation data, 3 or more data points are required.
>
>
> Fitting to spin ':2&:ALA'
> ~~~~~~~~~~~~~~~~~~~~~~~~
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/model_free.py", line 187, 
> in test_bugs_12582_12591_12607
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'bugs_12582_12591_12607.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/bugs_12582_12591_12607.py",
>  line 32, in <module>
>    grid_search(lower=None, upper=None, inc=11, constraints=True, 
> verbosity=1)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/model_free/mf_minimise.py", line 
> 1174, in grid_search
>    self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/model_free/mf_minimise.py", line 
> 1462, in minimise
>    results = grid(func=self.mf.func, args=(), num_incs=inc_new, 
> lower=lower_new, upper=upper_new, A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ======================================================================
> ERROR: Try a very minimal model-free analysis on the OMP relaxation data.
> ----------------------------------------------------------------------
>
> relax> pipe.create(pipe_name='mf', pipe_type='mf')
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='data', pipe_type='mf')
>
> relax> results.read(file='final_results_trunc_1.3', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/OMP')
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/OMP/final_results_trunc_1.3.bz2'
>  for reading.
>
> relax> pipe.create(pipe_name='tm0', pipe_type='mf')
>
> relax> sequence.copy(pipe_from='data', pipe_to=None)
>
> relax> deselect.all()
>
> relax> select.spin(spin_id=':9', boolean='OR', change_all=False)
>
> relax> select.spin(spin_id=':10', boolean='OR', change_all=False)
>
> relax> select.spin(spin_id=':11', boolean='OR', change_all=False)
>
> relax> relax_data.copy(pipe_from='data', pipe_to=None, ri_label=None, 
> frq_label=None)
>
> relax> value.set(val=1.0200000000000001e-10, param='bond_length', 
> spin_id=None)
>
> relax> value.set(val=-0.00017199999999999998, param='csa', spin_id=None)
>
> relax> value.set(val='15N', param='heteronucleus', spin_id=None)
>
> relax> value.set(val='1H', param='proton', spin_id=None)
>
> relax> model_free.select_model(model='tm0', spin_id=None)
>
> relax> grid_search(lower=None, upper=None, inc=3, constraints=True, 
> verbosity=1)
>
>
> Over-fit spin deselection.
>
>
>
> Fitting to spin ':9&:Gln'
> ~~~~~~~~~~~~~~~~~~~~~~~~
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/model_free.py", line 215, 
> in test_omp_analysis
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'omp_model_free.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/omp_model_free.py", 
> line 222, in <module>
>    Main()
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/omp_model_free.py", 
> line 47, in __init__
>    self.multi_model(local_tm=True)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/omp_model_free.py", 
> line 216, in multi_model
>    grid_search(inc=GRID_INC)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/model_free/mf_minimise.py", line 
> 1174, in grid_search
>    self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/model_free/mf_minimise.py", line 
> 1462, in minimise
>    results = grid(func=self.mf.func, args=(), num_incs=inc_new, 
> lower=lower_new, upper=upper_new, A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ======================================================================
> ERROR: Constrained grid search {S2=0.970, te=2048, Rex=0.149}.
> ----------------------------------------------------------------------
>
> relax> pipe.create(pipe_name='mf', pipe_type='mf')
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> sequence.read(file='noe.500.out', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
>  spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2, 
> spin_num_col=None, spin_name_col=None, sep=None, spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out'
>  for reading.
>
>
>
> relax> relax_data.read(ri_label='R1', frq_label='600', frq=600000000.0, 
> file='r1.600.out', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
>  spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2, 
> spin_num_col=None, spin_name_col=None, data_col=3, error_col=4, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r1.600.out'
>  for reading.
>
> relax> relax_data.read(ri_label='R2', frq_label='600', frq=600000000.0, 
> file='r2.600.out', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
>  spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2, 
> spin_num_col=None, spin_name_col=None, data_col=3, error_col=4, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r2.600.out'
>  for reading.
>
> relax> relax_data.read(ri_label='NOE', frq_label='600', frq=600000000.0, 
> file='noe.600.out', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
>  spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2, 
> spin_num_col=None, spin_name_col=None, data_col=3, error_col=4, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/noe.600.out'
>  for reading.
>
> relax> relax_data.read(ri_label='R1', frq_label='500', frq=500000000.0, 
> file='r1.500.out', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
>  spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2, 
> spin_num_col=None, spin_name_col=None, data_col=3, error_col=4, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r1.500.out'
>  for reading.
>
> relax> relax_data.read(ri_label='R2', frq_label='500', frq=500000000.0, 
> file='r2.500.out', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
>  spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2, 
> spin_num_col=None, spin_name_col=None, data_col=3, error_col=4, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/r2.500.out'
>  for reading.
>
> relax> relax_data.read(ri_label='NOE', frq_label='500', frq=500000000.0, 
> file='noe.500.out', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149',
>  spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=2, 
> spin_num_col=None, spin_name_col=None, data_col=3, error_col=4, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out'
>  for reading.
>
> relax> diffusion_tensor.init(params=1e-08, time_scale=1.0, d_scale=1.0, 
> angle_units='deg', param_types=0, spheroid_type=None, fixed=True)
>
> relax> value.set(val=1.0200000000000001e-10, param='bond_length', 
> spin_id=None)
>
> relax> value.set(val=-0.00015999999999999999, param='csa', spin_id=None)
>
> relax> value.set(val='15N', param='heteronucleus', spin_id=None)
>
> relax> value.set(val='1H', param='proton', spin_id=None)
>
> relax> model_free.select_model(model='m4', spin_id=None)
>
> relax> grid_search(lower=None, upper=None, inc=11, constraints=True, 
> verbosity=1)
>
>
> Over-fit spin deselection.
>
> RelaxWarning: The spin ':1&:GLY' has been deselected because of 
> insufficient relaxation data, 3 or more data points are required.
> Only the model-free parameters for single spins will be used.
>
>
> Fitting to spin ':2&:ALA'
> ~~~~~~~~~~~~~~~~~~~~~~~~
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/model_free.py", line 
> 1240, in test_opt_grid_search_S2_0_970_te_2048_Rex_0_149
>    self.interpreter.grid_search(inc=11)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/model_free/mf_minimise.py", line 
> 1174, in grid_search
>    self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/model_free/mf_minimise.py", line 
> 1462, in minimise
>    results = grid(func=self.mf.func, args=(), num_incs=inc_new, 
> lower=lower_new, upper=upper_new, A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ======================================================================
> ERROR: Try a component of model-free analysis on Tyler Reddy's peptide data 
> (truncated).
> ----------------------------------------------------------------------
>
> relax> pipe.create(pipe_name='mf', pipe_type='mf')
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='ellipsoid', pipe_type='mf')
>
> relax> results.read(file='tylers_peptide_trunc', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/results_files')
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/results_files/tylers_peptide_trunc.bz2'
>  for reading.
>
> relax> spin.name(spin_id=None, name='N', force=False)
>
> relax> model_free.remove_tm(spin_id=None)
>
> relax> sequence.display(sep=None, mol_name_flag=True, res_num_flag=True, 
> res_name_flag=True, spin_num_flag=True, spin_name_flag=True)
>
> # mol_name res_num    res_name   spin_num   spin_name
> None       211        LEU        None       N
>
> relax> structure.read_pdb(file='tylers_peptide_trunc.pdb', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/structures', read_mol=None, 
> set_mol_name=None, read_model=None, set_model_num=None, parser='internal')
>
> Internal relax PDB parser.
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/structures/tylers_peptide_trunc.pdb'
>  for reading.
> Adding molecule 'tylers_peptide_trunc_mol1' to model 11 (from the original 
> molecule number 1 of model 11)
>
> relax> structure.vectors(attached='H', spin_id=None, model=None, 
> verbosity=1, ave=True, unit=True)
> Extracting vectors from the single model.
> Calculating the unit vectors.
> The attached atom is a proton.
>
> Extracted N-H vectors for ':211@N'.
>
> relax> diffusion_tensor.init(params=(1e-08, 0, 0, 0, 0, 0), time_scale=1.0, 
> d_scale=1.0, angle_units='deg', param_types=0, spheroid_type=None, 
> fixed=False)
>
> relax> fix(element='all_spins', fixed=True)
>
> relax> grid_search(lower=None, upper=None, inc=6, constraints=True, 
> verbosity=1)
>
>
> Over-fit spin deselection.
>
> Only diffusion tensor parameters will be used.
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/model_free.py", line 
> 1569, in test_tylers_peptide
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'tylers_peptide.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/tylers_peptide.py", 
> line 20, in <module>
>    grid_search(lower=None, upper=None, inc=6, constraints=True, verbosity=1)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/model_free/mf_minimise.py", line 
> 1174, in grid_search
>    self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/model_free/mf_minimise.py", line 
> 1462, in minimise
>    results = grid(func=self.mf.func, args=(), num_incs=inc_new, 
> lower=lower_new, upper=upper_new, A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ======================================================================
> ERROR: Test the use of RDCs and PCSs to find the alignment tensor.
> ----------------------------------------------------------------------
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='rdc', pipe_type='N-state')
>
> relax> structure.read_pdb(file='bax_C_1J7P_N_H_Ca', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/structures', read_mol=None, 
> set_mol_name=None, read_model=None, set_model_num=None, parser='internal')
>
> Internal relax PDB parser.
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb'
>  for reading.
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol1' to model None (from the original 
> molecule number 1 of model None)
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol2' to model None (from the original 
> molecule number 2 of model None)
>
> relax> structure.load_spins(spin_id=None, combine_models=True, ave_pos=True)
> Adding the following spins to the relax data store.
>
> Renaming the unnamed sole molecule container to 'bax_C_1J7P_N_H_Ca_mol1'.
>
> # mol_name                res_num    res_name   spin_num   spin_name
> bax_C_1J7P_N_H_Ca_mol1    82         GLU        1          N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        15         N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        24         H
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        30         N
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        39         H
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        45         N
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        53         H
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        64         N
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        75         H
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        88         N
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        97         H
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        103        N
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        108        H
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        113        N
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        124        H
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        133        N
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        144        H
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        157        N
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        164        H
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        173        N
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        184        H
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        193        N
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        201        H
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        205        N
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        214        H
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        227        N
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        235        H
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        239        N
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        243        H
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        246        N
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        254        H
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        260        N
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        264        H
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        267        N
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        278        H
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        286        N
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        294        H
> bax_C_1J7P_N_H_Ca_mol1    101        SER        305        N
> bax_C_1J7P_N_H_Ca_mol1    101        SER        311        H
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        316        N
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        321        H
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        326        N
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        331        H
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        336        N
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        345        H
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        351        N
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        359        H
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        370        N
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        381        H
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        394        N
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        404        H
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        411        N
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        418        H
> bax_C_1J7P_N_H_Ca_mol1    109        MET        427        N
> bax_C_1J7P_N_H_Ca_mol1    109        MET        435        H
> bax_C_1J7P_N_H_Ca_mol1    110        THR        444        N
> bax_C_1J7P_N_H_Ca_mol1    110        THR        451        H
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        458        N
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        466        H
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        472        N
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        480        H
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        491        N
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        495        H
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        498        N
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        507        H
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        513        N
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        522        H
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        535        N
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        543        H
> bax_C_1J7P_N_H_Ca_mol1    117        THR        554        N
> bax_C_1J7P_N_H_Ca_mol1    117        THR        561        H
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        568        N
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        576        H
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        580        N
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        589        H
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        595        N
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        604        H
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        610        N
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        617        H
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        626        N
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        634        H
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        638        N
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        647        H
> bax_C_1J7P_N_H_Ca_mol1    124        MET        653        N
> bax_C_1J7P_N_H_Ca_mol1    124        MET        661        H
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        670        N
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        678        H
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        689        N
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        700        H
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        713        N
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        722        H
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        728        N
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        733        H
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        738        N
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        746        H
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        750        N
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        758        H
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        769        N
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        777        H
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        781        N
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        785        H
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        788        N
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        796        H
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        800        N
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        804        H
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        807        N
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        816        H
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        824        N
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        831        H
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        840        N
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        848        H
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        854        N
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        865        H
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        873        N
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        882        H
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        888        N
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        897        H
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        903        N
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        914        H
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        923        N
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        930        H
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        939        N
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        948        H
> bax_C_1J7P_N_H_Ca_mol1    144        MET        956        N
> bax_C_1J7P_N_H_Ca_mol1    144        MET        964        H
> bax_C_1J7P_N_H_Ca_mol1    145        MET        973        N
> bax_C_1J7P_N_H_Ca_mol1    145        MET        981        H
> bax_C_1J7P_N_H_Ca_mol1    146        THR        990        N
> bax_C_1J7P_N_H_Ca_mol1    146        THR        997        H
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1004       N
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1009       H
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1014       N
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1022       H
> bax_C_1J7P_N_H_Ca_mol2    1000       CA         1036       CA
> bax_C_1J7P_N_H_Ca_mol2    1001       CA         1037       CA
>
> relax> structure.vectors(attached='H', spin_id='@N', model=None, 
> verbosity=1, ave=False, unit=True)
> Extracting vectors from the single model.
> Calculating the unit vectors.
> The attached atom is a proton.
>
> RelaxWarning: Cannot find the atom in the structure (atom ID ':82@N').
> Extracted N-H vectors for ':83@N'.
> Extracted N-H vectors for ':84@N'.
> Extracted N-H vectors for ':85@N'.
> Extracted N-H vectors for ':86@N'.
> Extracted N-H vectors for ':87@N'.
> Extracted N-H vectors for ':88@N'.
> Extracted N-H vectors for ':89@N'.
> Extracted N-H vectors for ':90@N'.
> Extracted N-H vectors for ':91@N'.
> Extracted N-H vectors for ':92@N'.
> Extracted N-H vectors for ':93@N'.
> Extracted N-H vectors for ':94@N'.
> Extracted N-H vectors for ':95@N'.
> Extracted N-H vectors for ':96@N'.
> Extracted N-H vectors for ':97@N'.
> Extracted N-H vectors for ':98@N'.
> Extracted N-H vectors for ':99@N'.
> Extracted N-H vectors for ':100@N'.
> Extracted N-H vectors for ':101@N'.
> Extracted N-H vectors for ':102@N'.
> Extracted N-H vectors for ':103@N'.
> Extracted N-H vectors for ':104@N'.
> Extracted N-H vectors for ':105@N'.
> Extracted N-H vectors for ':106@N'.
> Extracted N-H vectors for ':107@N'.
> Extracted N-H vectors for ':108@N'.
> Extracted N-H vectors for ':109@N'.
> Extracted N-H vectors for ':110@N'.
> Extracted N-H vectors for ':111@N'.
> Extracted N-H vectors for ':112@N'.
> Extracted N-H vectors for ':113@N'.
> Extracted N-H vectors for ':114@N'.
> Extracted N-H vectors for ':115@N'.
> Extracted N-H vectors for ':116@N'.
> Extracted N-H vectors for ':117@N'.
> Extracted N-H vectors for ':118@N'.
> Extracted N-H vectors for ':119@N'.
> Extracted N-H vectors for ':120@N'.
> Extracted N-H vectors for ':121@N'.
> Extracted N-H vectors for ':122@N'.
> Extracted N-H vectors for ':123@N'.
> Extracted N-H vectors for ':124@N'.
> Extracted N-H vectors for ':125@N'.
> Extracted N-H vectors for ':126@N'.
> Extracted N-H vectors for ':127@N'.
> Extracted N-H vectors for ':128@N'.
> Extracted N-H vectors for ':129@N'.
> Extracted N-H vectors for ':130@N'.
> Extracted N-H vectors for ':131@N'.
> Extracted N-H vectors for ':132@N'.
> Extracted N-H vectors for ':133@N'.
> Extracted N-H vectors for ':134@N'.
> Extracted N-H vectors for ':135@N'.
> Extracted N-H vectors for ':136@N'.
> Extracted N-H vectors for ':137@N'.
> Extracted N-H vectors for ':138@N'.
> Extracted N-H vectors for ':139@N'.
> Extracted N-H vectors for ':140@N'.
> Extracted N-H vectors for ':141@N'.
> Extracted N-H vectors for ':142@N'.
> Extracted N-H vectors for ':143@N'.
> Extracted N-H vectors for ':144@N'.
> Extracted N-H vectors for ':145@N'.
> Extracted N-H vectors for ':146@N'.
> Extracted N-H vectors for ':147@N'.
> Extracted N-H vectors for ':148@N'.
>
> relax> value.set(val=1.0409999999999999e-10, param='bond_length', 
> spin_id='@N')
>
> relax> value.set(val='15N', param='heteronucleus', spin_id='@N')
>
> relax> value.set(val='1H', param='proton', spin_id='@N')
>
> relax> rdc.read(align_id='synth', file='synth_rdc', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM', 
> spin_id_col=None, mol_name_col=1, res_num_col=2, res_name_col=3, 
> spin_num_col=4, spin_name_col=5, data_col=6, error_col=None, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM/synth_rdc' for 
> reading.
>
> # spin_id                                  RDCs                 RDC_error
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@15&@N             5.59633342475             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@30&@N             13.3135794077             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@45&@N              7.0382697213             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:111&:ASN@458&@N          -3.39286328073             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@472&@N          -2.09118060289             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@491&@N           11.4431495067             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@498&@N          -9.06351706695             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@513&@N           2.33713806872             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@535&@N          -5.81432510092             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@554&@N           13.1021212842             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@568&@N           2.52845064335             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@580&@N          -4.70528375938             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@595&@N            4.0796548034             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@610&@N           6.28030444828             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@626&@N          -4.69179757106             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@638&@N          -2.34216201798             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@653&@N           3.89567105101             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@689&@N          -5.51427513007             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@713&@N           0.72184322202             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@728&@N           3.81502890358             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@750&@N          -10.8835425395             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@769&@N          -1.66151988717             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@781&@N           4.29930397984             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@939&@N            4.4695044765             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@956&@N           6.99742077188             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@973&@N          -2.27879506276             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@990&@N           3.64303288709             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1004&@N          6.83945430255             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1014&@N         -3.19585334782             
>     None
>
> relax> pcs.read(align_id='synth', file='synth_pcs', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM', 
> spin_id_col=None, mol_name_col=1, res_num_col=2, res_name_col=3, 
> spin_num_col=4, spin_name_col=5, data_col=6, error_col=None, sep=None, 
> spin_id=None)
>
> spin_id                                            value           error
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM/synth_pcs' for 
> reading.
> #bax_C_1J7P_N_H_Ca_mol1:82&:GLU@1&@N                  1.0261275236          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@15&@N                0.75832284646          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@24&@H                0.65377417467          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@30&@N                0.88410306916          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@39&@H                0.83665620282          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@45&@N                  1.887881182          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@53&@H                 1.6564530832          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:86&:ARG@75&@H                 1.8489841033          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:111&:ASN@458&@N              -1.1143070855          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@472&@N             -0.52863087918          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@480&@H             -0.67600660991          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@491&@N             -0.36996952054          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@495&@H             -0.50720205688          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@498&@N             -0.39889489474          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@507&@H             -0.41237130008          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@513&@N             -0.71313422816          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@522&@H             -0.58642013802          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@535&@N              -1.2160818959          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@543&@H              -1.3990341569          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@554&@N              -1.4084215541          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@561&@H              -1.2007391713          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@568&@N              -2.1392542193          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@576&@H              -2.0165726596          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@580&@N              -1.7623442985          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@589&@H              -1.6437792517          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@595&@N              -1.2415832517          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@604&@H              -1.3008765368          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@610&@N              -1.5872391105          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@617&@H              -1.8060331465          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@626&@N              -1.9063640494          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@634&@H              -1.9817787999          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@638&@N             -0.85264936663          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@647&@H             -0.98332177588          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@653&@N             -0.13370651687          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@661&@H             -0.41762890604          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@689&@N            -0.038212181921          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@700&@H             -0.37986098085          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@713&@N              0.63582157322          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@722&@H              0.48346482178          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@728&@N               1.7566240094          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@733&@H               1.5694652222          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@750&@N               1.9914499872          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@758&@H               2.5316890107          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@769&@N               1.4559940851          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@777&@H               1.8661428328          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@781&@N              0.65003087965          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@785&@H              0.91690449156          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@939&@N               3.2096229388          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@948&@H               3.5547526651          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@956&@N               3.0579308183          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@964&@H               3.5933428117          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@973&@N               2.9062016872          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@981&@H               3.3750576279          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@990&@N               2.1848555929          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@997&@H               2.4769802024          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1004&@N              1.6466129291          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1009&@H              1.7719619979          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1014&@N              1.1373876736          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1022&@H              1.2182451528          
>   None
>
> relax> pcs.centre(pos=None, atom_id=':1000@CA', pipe=None, verbosity=1, 
> ave_pos=True, force=False)
> Paramagnetic centres located at:
>    [  32.555,  -19.130,   27.775]
>
> Average paramagnetic centre located at:
>    [  32.555,  -19.130,   27.775]
>
> Using the average paramagnetic position.
>
> relax> temperature(id='synth', temp=303)
>
> relax> frq(id='synth', frq=600000000.0)
>
> relax> n_state_model.select_model(model='fixed')
>
> relax> grid_search(lower=None, upper=None, inc=3, constraints=True, 
> verbosity=1)
> RelaxWarning: Turning constraints off.  These cannot be used for the 
> 'fixed' model.
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/n_state_model.py", line 
> 102, in test_align_fit
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'n_state_model'+sep+'align_fit.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/n_state_model/align_fit.py",
>  line 73, in <module>
>    grid_search(inc=3)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1499, in 
> grid_search
>    self.minimise(min_algor='grid', min_options=[inc, lower, upper], 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1569, in 
> minimise
>    results = grid(func=model.func, args=(), num_incs=min_options[0], 
> lower=min_options[1], upper=min_options[2], A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ======================================================================
> ERROR: Test the use of PCSs to find the alignment tensor.
> ----------------------------------------------------------------------
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='rdc', pipe_type='N-state')
>
> relax> structure.read_pdb(file='bax_C_1J7P_N_H_Ca', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/structures', read_mol=None, 
> set_mol_name=None, read_model=None, set_model_num=None, parser='internal')
>
> Internal relax PDB parser.
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb'
>  for reading.
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol1' to model None (from the original 
> molecule number 1 of model None)
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol2' to model None (from the original 
> molecule number 2 of model None)
>
> relax> structure.load_spins(spin_id=None, combine_models=True, ave_pos=True)
> Adding the following spins to the relax data store.
>
> Renaming the unnamed sole molecule container to 'bax_C_1J7P_N_H_Ca_mol1'.
>
> # mol_name                res_num    res_name   spin_num   spin_name
> bax_C_1J7P_N_H_Ca_mol1    82         GLU        1          N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        15         N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        24         H
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        30         N
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        39         H
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        45         N
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        53         H
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        64         N
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        75         H
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        88         N
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        97         H
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        103        N
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        108        H
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        113        N
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        124        H
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        133        N
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        144        H
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        157        N
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        164        H
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        173        N
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        184        H
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        193        N
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        201        H
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        205        N
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        214        H
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        227        N
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        235        H
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        239        N
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        243        H
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        246        N
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        254        H
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        260        N
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        264        H
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        267        N
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        278        H
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        286        N
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        294        H
> bax_C_1J7P_N_H_Ca_mol1    101        SER        305        N
> bax_C_1J7P_N_H_Ca_mol1    101        SER        311        H
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        316        N
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        321        H
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        326        N
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        331        H
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        336        N
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        345        H
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        351        N
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        359        H
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        370        N
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        381        H
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        394        N
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        404        H
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        411        N
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        418        H
> bax_C_1J7P_N_H_Ca_mol1    109        MET        427        N
> bax_C_1J7P_N_H_Ca_mol1    109        MET        435        H
> bax_C_1J7P_N_H_Ca_mol1    110        THR        444        N
> bax_C_1J7P_N_H_Ca_mol1    110        THR        451        H
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        458        N
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        466        H
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        472        N
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        480        H
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        491        N
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        495        H
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        498        N
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        507        H
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        513        N
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        522        H
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        535        N
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        543        H
> bax_C_1J7P_N_H_Ca_mol1    117        THR        554        N
> bax_C_1J7P_N_H_Ca_mol1    117        THR        561        H
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        568        N
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        576        H
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        580        N
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        589        H
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        595        N
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        604        H
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        610        N
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        617        H
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        626        N
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        634        H
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        638        N
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        647        H
> bax_C_1J7P_N_H_Ca_mol1    124        MET        653        N
> bax_C_1J7P_N_H_Ca_mol1    124        MET        661        H
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        670        N
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        678        H
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        689        N
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        700        H
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        713        N
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        722        H
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        728        N
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        733        H
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        738        N
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        746        H
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        750        N
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        758        H
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        769        N
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        777        H
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        781        N
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        785        H
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        788        N
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        796        H
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        800        N
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        804        H
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        807        N
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        816        H
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        824        N
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        831        H
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        840        N
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        848        H
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        854        N
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        865        H
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        873        N
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        882        H
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        888        N
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        897        H
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        903        N
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        914        H
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        923        N
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        930        H
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        939        N
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        948        H
> bax_C_1J7P_N_H_Ca_mol1    144        MET        956        N
> bax_C_1J7P_N_H_Ca_mol1    144        MET        964        H
> bax_C_1J7P_N_H_Ca_mol1    145        MET        973        N
> bax_C_1J7P_N_H_Ca_mol1    145        MET        981        H
> bax_C_1J7P_N_H_Ca_mol1    146        THR        990        N
> bax_C_1J7P_N_H_Ca_mol1    146        THR        997        H
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1004       N
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1009       H
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1014       N
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1022       H
> bax_C_1J7P_N_H_Ca_mol2    1000       CA         1036       CA
> bax_C_1J7P_N_H_Ca_mol2    1001       CA         1037       CA
>
> relax> structure.vectors(attached='H', spin_id='@N', model=None, 
> verbosity=1, ave=False, unit=True)
> Extracting vectors from the single model.
> Calculating the unit vectors.
> The attached atom is a proton.
>
> RelaxWarning: Cannot find the atom in the structure (atom ID ':82@N').
> Extracted N-H vectors for ':83@N'.
> Extracted N-H vectors for ':84@N'.
> Extracted N-H vectors for ':85@N'.
> Extracted N-H vectors for ':86@N'.
> Extracted N-H vectors for ':87@N'.
> Extracted N-H vectors for ':88@N'.
> Extracted N-H vectors for ':89@N'.
> Extracted N-H vectors for ':90@N'.
> Extracted N-H vectors for ':91@N'.
> Extracted N-H vectors for ':92@N'.
> Extracted N-H vectors for ':93@N'.
> Extracted N-H vectors for ':94@N'.
> Extracted N-H vectors for ':95@N'.
> Extracted N-H vectors for ':96@N'.
> Extracted N-H vectors for ':97@N'.
> Extracted N-H vectors for ':98@N'.
> Extracted N-H vectors for ':99@N'.
> Extracted N-H vectors for ':100@N'.
> Extracted N-H vectors for ':101@N'.
> Extracted N-H vectors for ':102@N'.
> Extracted N-H vectors for ':103@N'.
> Extracted N-H vectors for ':104@N'.
> Extracted N-H vectors for ':105@N'.
> Extracted N-H vectors for ':106@N'.
> Extracted N-H vectors for ':107@N'.
> Extracted N-H vectors for ':108@N'.
> Extracted N-H vectors for ':109@N'.
> Extracted N-H vectors for ':110@N'.
> Extracted N-H vectors for ':111@N'.
> Extracted N-H vectors for ':112@N'.
> Extracted N-H vectors for ':113@N'.
> Extracted N-H vectors for ':114@N'.
> Extracted N-H vectors for ':115@N'.
> Extracted N-H vectors for ':116@N'.
> Extracted N-H vectors for ':117@N'.
> Extracted N-H vectors for ':118@N'.
> Extracted N-H vectors for ':119@N'.
> Extracted N-H vectors for ':120@N'.
> Extracted N-H vectors for ':121@N'.
> Extracted N-H vectors for ':122@N'.
> Extracted N-H vectors for ':123@N'.
> Extracted N-H vectors for ':124@N'.
> Extracted N-H vectors for ':125@N'.
> Extracted N-H vectors for ':126@N'.
> Extracted N-H vectors for ':127@N'.
> Extracted N-H vectors for ':128@N'.
> Extracted N-H vectors for ':129@N'.
> Extracted N-H vectors for ':130@N'.
> Extracted N-H vectors for ':131@N'.
> Extracted N-H vectors for ':132@N'.
> Extracted N-H vectors for ':133@N'.
> Extracted N-H vectors for ':134@N'.
> Extracted N-H vectors for ':135@N'.
> Extracted N-H vectors for ':136@N'.
> Extracted N-H vectors for ':137@N'.
> Extracted N-H vectors for ':138@N'.
> Extracted N-H vectors for ':139@N'.
> Extracted N-H vectors for ':140@N'.
> Extracted N-H vectors for ':141@N'.
> Extracted N-H vectors for ':142@N'.
> Extracted N-H vectors for ':143@N'.
> Extracted N-H vectors for ':144@N'.
> Extracted N-H vectors for ':145@N'.
> Extracted N-H vectors for ':146@N'.
> Extracted N-H vectors for ':147@N'.
> Extracted N-H vectors for ':148@N'.
>
> relax> value.set(val=1.0409999999999999e-10, param='bond_length', 
> spin_id='@N')
>
> relax> value.set(val='15N', param='heteronucleus', spin_id='@N')
>
> relax> value.set(val='1H', param='proton', spin_id='@N')
>
> relax> pcs.read(align_id='synth', file='synth_pcs', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM', 
> spin_id_col=None, mol_name_col=1, res_num_col=2, res_name_col=3, 
> spin_num_col=4, spin_name_col=5, data_col=6, error_col=None, sep=None, 
> spin_id=None)
>
> spin_id                                            value           error
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM/synth_pcs' for 
> reading.
> #bax_C_1J7P_N_H_Ca_mol1:82&:GLU@1&@N                  1.0261275236          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@15&@N                0.75832284646          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@24&@H                0.65377417467          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@30&@N                0.88410306916          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@39&@H                0.83665620282          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@45&@N                  1.887881182          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@53&@H                 1.6564530832          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:86&:ARG@75&@H                 1.8489841033          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:111&:ASN@458&@N              -1.1143070855          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@472&@N             -0.52863087918          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@480&@H             -0.67600660991          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@491&@N             -0.36996952054          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@495&@H             -0.50720205688          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@498&@N             -0.39889489474          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@507&@H             -0.41237130008          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@513&@N             -0.71313422816          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@522&@H             -0.58642013802          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@535&@N              -1.2160818959          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@543&@H              -1.3990341569          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@554&@N              -1.4084215541          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@561&@H              -1.2007391713          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@568&@N              -2.1392542193          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@576&@H              -2.0165726596          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@580&@N              -1.7623442985          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@589&@H              -1.6437792517          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@595&@N              -1.2415832517          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@604&@H              -1.3008765368          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@610&@N              -1.5872391105          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@617&@H              -1.8060331465          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@626&@N              -1.9063640494          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@634&@H              -1.9817787999          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@638&@N             -0.85264936663          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@647&@H             -0.98332177588          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@653&@N             -0.13370651687          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@661&@H             -0.41762890604          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@689&@N            -0.038212181921          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@700&@H             -0.37986098085          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@713&@N              0.63582157322          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@722&@H              0.48346482178          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@728&@N               1.7566240094          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@733&@H               1.5694652222          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@750&@N               1.9914499872          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@758&@H               2.5316890107          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@769&@N               1.4559940851          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@777&@H               1.8661428328          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@781&@N              0.65003087965          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@785&@H              0.91690449156          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@939&@N               3.2096229388          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@948&@H               3.5547526651          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@956&@N               3.0579308183          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@964&@H               3.5933428117          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@973&@N               2.9062016872          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@981&@H               3.3750576279          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@990&@N               2.1848555929          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@997&@H               2.4769802024          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1004&@N              1.6466129291          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1009&@H              1.7719619979          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1014&@N              1.1373876736          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1022&@H              1.2182451528          
>   None
>
> relax> pcs.centre(pos=None, atom_id=':1000@CA', pipe=None, verbosity=1, 
> ave_pos=True, force=False)
> Paramagnetic centres located at:
>    [  32.555,  -19.130,   27.775]
>
> Average paramagnetic centre located at:
>    [  32.555,  -19.130,   27.775]
>
> Using the average paramagnetic position.
>
> relax> temperature(id='synth', temp=303)
>
> relax> frq(id='synth', frq=600000000.0)
>
> relax> n_state_model.select_model(model='fixed')
>
> relax> grid_search(lower=None, upper=None, inc=3, constraints=True, 
> verbosity=1)
> RelaxWarning: Turning constraints off.  These cannot be used for the 
> 'fixed' model.
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/n_state_model.py", line 
> 145, in test_align_fit_pcs
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'n_state_model'+sep+'align_fit.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/n_state_model/align_fit.py",
>  line 73, in <module>
>    grid_search(inc=3)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1499, in 
> grid_search
>    self.minimise(min_algor='grid', min_options=[inc, lower, upper], 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1569, in 
> minimise
>    results = grid(func=model.func, args=(), num_incs=min_options[0], 
> lower=min_options[1], upper=min_options[2], A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ======================================================================
> ERROR: Test the use of randomised PCSs to find the alignment tensor.
> ----------------------------------------------------------------------
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='rdc', pipe_type='N-state')
>
> relax> structure.read_pdb(file='bax_C_1J7P_N_H_Ca', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/structures', read_mol=None, 
> set_mol_name=None, read_model=None, set_model_num=None, parser='internal')
>
> Internal relax PDB parser.
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb'
>  for reading.
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol1' to model None (from the original 
> molecule number 1 of model None)
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol2' to model None (from the original 
> molecule number 2 of model None)
>
> relax> structure.load_spins(spin_id=None, combine_models=True, ave_pos=True)
> Adding the following spins to the relax data store.
>
> Renaming the unnamed sole molecule container to 'bax_C_1J7P_N_H_Ca_mol1'.
>
> # mol_name                res_num    res_name   spin_num   spin_name
> bax_C_1J7P_N_H_Ca_mol1    82         GLU        1          N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        15         N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        24         H
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        30         N
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        39         H
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        45         N
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        53         H
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        64         N
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        75         H
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        88         N
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        97         H
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        103        N
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        108        H
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        113        N
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        124        H
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        133        N
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        144        H
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        157        N
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        164        H
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        173        N
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        184        H
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        193        N
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        201        H
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        205        N
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        214        H
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        227        N
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        235        H
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        239        N
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        243        H
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        246        N
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        254        H
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        260        N
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        264        H
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        267        N
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        278        H
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        286        N
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        294        H
> bax_C_1J7P_N_H_Ca_mol1    101        SER        305        N
> bax_C_1J7P_N_H_Ca_mol1    101        SER        311        H
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        316        N
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        321        H
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        326        N
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        331        H
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        336        N
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        345        H
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        351        N
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        359        H
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        370        N
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        381        H
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        394        N
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        404        H
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        411        N
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        418        H
> bax_C_1J7P_N_H_Ca_mol1    109        MET        427        N
> bax_C_1J7P_N_H_Ca_mol1    109        MET        435        H
> bax_C_1J7P_N_H_Ca_mol1    110        THR        444        N
> bax_C_1J7P_N_H_Ca_mol1    110        THR        451        H
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        458        N
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        466        H
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        472        N
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        480        H
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        491        N
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        495        H
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        498        N
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        507        H
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        513        N
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        522        H
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        535        N
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        543        H
> bax_C_1J7P_N_H_Ca_mol1    117        THR        554        N
> bax_C_1J7P_N_H_Ca_mol1    117        THR        561        H
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        568        N
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        576        H
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        580        N
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        589        H
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        595        N
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        604        H
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        610        N
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        617        H
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        626        N
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        634        H
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        638        N
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        647        H
> bax_C_1J7P_N_H_Ca_mol1    124        MET        653        N
> bax_C_1J7P_N_H_Ca_mol1    124        MET        661        H
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        670        N
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        678        H
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        689        N
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        700        H
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        713        N
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        722        H
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        728        N
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        733        H
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        738        N
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        746        H
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        750        N
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        758        H
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        769        N
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        777        H
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        781        N
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        785        H
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        788        N
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        796        H
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        800        N
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        804        H
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        807        N
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        816        H
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        824        N
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        831        H
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        840        N
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        848        H
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        854        N
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        865        H
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        873        N
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        882        H
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        888        N
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        897        H
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        903        N
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        914        H
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        923        N
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        930        H
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        939        N
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        948        H
> bax_C_1J7P_N_H_Ca_mol1    144        MET        956        N
> bax_C_1J7P_N_H_Ca_mol1    144        MET        964        H
> bax_C_1J7P_N_H_Ca_mol1    145        MET        973        N
> bax_C_1J7P_N_H_Ca_mol1    145        MET        981        H
> bax_C_1J7P_N_H_Ca_mol1    146        THR        990        N
> bax_C_1J7P_N_H_Ca_mol1    146        THR        997        H
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1004       N
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1009       H
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1014       N
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1022       H
> bax_C_1J7P_N_H_Ca_mol2    1000       CA         1036       CA
> bax_C_1J7P_N_H_Ca_mol2    1001       CA         1037       CA
>
> relax> structure.vectors(attached='H', spin_id='@N', model=None, 
> verbosity=1, ave=False, unit=True)
> Extracting vectors from the single model.
> Calculating the unit vectors.
> The attached atom is a proton.
>
> RelaxWarning: Cannot find the atom in the structure (atom ID ':82@N').
> Extracted N-H vectors for ':83@N'.
> Extracted N-H vectors for ':84@N'.
> Extracted N-H vectors for ':85@N'.
> Extracted N-H vectors for ':86@N'.
> Extracted N-H vectors for ':87@N'.
> Extracted N-H vectors for ':88@N'.
> Extracted N-H vectors for ':89@N'.
> Extracted N-H vectors for ':90@N'.
> Extracted N-H vectors for ':91@N'.
> Extracted N-H vectors for ':92@N'.
> Extracted N-H vectors for ':93@N'.
> Extracted N-H vectors for ':94@N'.
> Extracted N-H vectors for ':95@N'.
> Extracted N-H vectors for ':96@N'.
> Extracted N-H vectors for ':97@N'.
> Extracted N-H vectors for ':98@N'.
> Extracted N-H vectors for ':99@N'.
> Extracted N-H vectors for ':100@N'.
> Extracted N-H vectors for ':101@N'.
> Extracted N-H vectors for ':102@N'.
> Extracted N-H vectors for ':103@N'.
> Extracted N-H vectors for ':104@N'.
> Extracted N-H vectors for ':105@N'.
> Extracted N-H vectors for ':106@N'.
> Extracted N-H vectors for ':107@N'.
> Extracted N-H vectors for ':108@N'.
> Extracted N-H vectors for ':109@N'.
> Extracted N-H vectors for ':110@N'.
> Extracted N-H vectors for ':111@N'.
> Extracted N-H vectors for ':112@N'.
> Extracted N-H vectors for ':113@N'.
> Extracted N-H vectors for ':114@N'.
> Extracted N-H vectors for ':115@N'.
> Extracted N-H vectors for ':116@N'.
> Extracted N-H vectors for ':117@N'.
> Extracted N-H vectors for ':118@N'.
> Extracted N-H vectors for ':119@N'.
> Extracted N-H vectors for ':120@N'.
> Extracted N-H vectors for ':121@N'.
> Extracted N-H vectors for ':122@N'.
> Extracted N-H vectors for ':123@N'.
> Extracted N-H vectors for ':124@N'.
> Extracted N-H vectors for ':125@N'.
> Extracted N-H vectors for ':126@N'.
> Extracted N-H vectors for ':127@N'.
> Extracted N-H vectors for ':128@N'.
> Extracted N-H vectors for ':129@N'.
> Extracted N-H vectors for ':130@N'.
> Extracted N-H vectors for ':131@N'.
> Extracted N-H vectors for ':132@N'.
> Extracted N-H vectors for ':133@N'.
> Extracted N-H vectors for ':134@N'.
> Extracted N-H vectors for ':135@N'.
> Extracted N-H vectors for ':136@N'.
> Extracted N-H vectors for ':137@N'.
> Extracted N-H vectors for ':138@N'.
> Extracted N-H vectors for ':139@N'.
> Extracted N-H vectors for ':140@N'.
> Extracted N-H vectors for ':141@N'.
> Extracted N-H vectors for ':142@N'.
> Extracted N-H vectors for ':143@N'.
> Extracted N-H vectors for ':144@N'.
> Extracted N-H vectors for ':145@N'.
> Extracted N-H vectors for ':146@N'.
> Extracted N-H vectors for ':147@N'.
> Extracted N-H vectors for ':148@N'.
>
> relax> value.set(val=1.0409999999999999e-10, param='bond_length', 
> spin_id='@N')
>
> relax> value.set(val='15N', param='heteronucleus', spin_id='@N')
>
> relax> value.set(val='1H', param='proton', spin_id='@N')
>
> relax> pcs.read(align_id='synth', file='synth_pcs_rand', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM', 
> spin_id_col=None, mol_name_col=1, res_num_col=2, res_name_col=3, 
> spin_num_col=4, spin_name_col=5, data_col=6, error_col=None, sep=None, 
> spin_id=None)
>
> spin_id                                            value           error
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM/synth_pcs_rand' 
> for reading.
> #bax_C_1J7P_N_H_Ca_mol1:82&:GLU@1&@N                 0.90794432765          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@15&@N                0.67161503888          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@24&@H                0.54395613661          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@30&@N                0.82708948667          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@39&@H                0.89090369605          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@45&@N                1.92676349238          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@53&@H                 1.7450454769          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:86&:ARG@75&@H                1.84633848361          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:111&:ASN@458&@N             -0.91802699489          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@472&@N             -0.69773318411          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@480&@H              -0.6703650879          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@491&@N             -0.23899020416          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@495&@H             -0.68013203527          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@498&@N             -0.41430390311          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@507&@H             -0.38005141277          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@513&@N             -0.53301931949          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@522&@H             -0.72174462597          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@535&@N             -1.30335472561          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@543&@H             -1.24462648741          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@554&@N              -1.6106765602          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@561&@H             -1.05863664972          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@568&@N             -2.05217060454          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@576&@H             -2.12102627869          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@580&@N             -1.64790336741          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@589&@H             -1.59533685164          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@595&@N             -1.22500563481          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@604&@H             -1.30030635808          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@610&@N              -1.4950269362          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@617&@H             -1.92017378314          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@626&@N             -1.98985085174          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@634&@H             -2.18289023453          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@638&@N             -1.02093189728          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@647&@H             -1.11173540502          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@653&@N             -0.04407898699          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@661&@H             -0.49105648538          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@689&@N             -0.12348982105          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@700&@H             -0.26211153106          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@713&@N              0.73766649831          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@722&@H              0.47728539073          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@728&@N              1.61199300746          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@733&@H              1.49579775155          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@750&@N              1.86290472058          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@758&@H                2.545864449          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@769&@N              1.40491557426          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@777&@H              1.98872629157          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@781&@N              0.59122371846          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@785&@H              1.13867016669          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@939&@N              3.37272671868          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@948&@H              3.67030800834          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@956&@N              3.17053756434          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@964&@H              3.67840711443          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@973&@N              2.92400000331          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@981&@H              3.43230222919          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@990&@N              2.37935038198          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@997&@H              2.43496988605          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1004&@N              1.6051434536          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1009&@H             1.62422398559          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1014&@N             1.15301371414          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1022&@H             1.26621894748          
>   None
>
> relax> pcs.centre(pos=None, atom_id=':1000@CA', pipe=None, verbosity=1, 
> ave_pos=True, force=False)
> Paramagnetic centres located at:
>    [  32.555,  -19.130,   27.775]
>
> Average paramagnetic centre located at:
>    [  32.555,  -19.130,   27.775]
>
> Using the average paramagnetic position.
>
> relax> temperature(id='synth', temp=303)
>
> relax> frq(id='synth', frq=600000000.0)
>
> relax> n_state_model.select_model(model='fixed')
>
> relax> grid_search(lower=None, upper=None, inc=3, constraints=True, 
> verbosity=1)
> RelaxWarning: Turning constraints off.  These cannot be used for the 
> 'fixed' model.
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/n_state_model.py", line 
> 167, in test_align_fit_pcs_rand
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'n_state_model'+sep+'align_fit.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/n_state_model/align_fit.py",
>  line 73, in <module>
>    grid_search(inc=3)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1499, in 
> grid_search
>    self.minimise(min_algor='grid', min_options=[inc, lower, upper], 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1569, in 
> minimise
>    results = grid(func=model.func, args=(), num_incs=min_options[0], 
> lower=min_options[1], upper=min_options[2], A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ======================================================================
> ERROR: Test the use of randomised RDCs and PCSs to find the alignment 
> tensor.
> ----------------------------------------------------------------------
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='rdc', pipe_type='N-state')
>
> relax> structure.read_pdb(file='bax_C_1J7P_N_H_Ca', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/structures', read_mol=None, 
> set_mol_name=None, read_model=None, set_model_num=None, parser='internal')
>
> Internal relax PDB parser.
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb'
>  for reading.
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol1' to model None (from the original 
> molecule number 1 of model None)
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol2' to model None (from the original 
> molecule number 2 of model None)
>
> relax> structure.load_spins(spin_id=None, combine_models=True, ave_pos=True)
> Adding the following spins to the relax data store.
>
> Renaming the unnamed sole molecule container to 'bax_C_1J7P_N_H_Ca_mol1'.
>
> # mol_name                res_num    res_name   spin_num   spin_name
> bax_C_1J7P_N_H_Ca_mol1    82         GLU        1          N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        15         N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        24         H
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        30         N
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        39         H
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        45         N
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        53         H
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        64         N
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        75         H
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        88         N
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        97         H
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        103        N
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        108        H
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        113        N
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        124        H
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        133        N
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        144        H
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        157        N
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        164        H
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        173        N
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        184        H
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        193        N
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        201        H
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        205        N
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        214        H
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        227        N
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        235        H
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        239        N
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        243        H
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        246        N
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        254        H
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        260        N
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        264        H
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        267        N
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        278        H
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        286        N
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        294        H
> bax_C_1J7P_N_H_Ca_mol1    101        SER        305        N
> bax_C_1J7P_N_H_Ca_mol1    101        SER        311        H
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        316        N
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        321        H
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        326        N
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        331        H
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        336        N
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        345        H
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        351        N
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        359        H
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        370        N
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        381        H
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        394        N
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        404        H
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        411        N
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        418        H
> bax_C_1J7P_N_H_Ca_mol1    109        MET        427        N
> bax_C_1J7P_N_H_Ca_mol1    109        MET        435        H
> bax_C_1J7P_N_H_Ca_mol1    110        THR        444        N
> bax_C_1J7P_N_H_Ca_mol1    110        THR        451        H
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        458        N
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        466        H
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        472        N
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        480        H
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        491        N
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        495        H
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        498        N
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        507        H
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        513        N
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        522        H
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        535        N
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        543        H
> bax_C_1J7P_N_H_Ca_mol1    117        THR        554        N
> bax_C_1J7P_N_H_Ca_mol1    117        THR        561        H
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        568        N
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        576        H
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        580        N
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        589        H
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        595        N
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        604        H
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        610        N
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        617        H
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        626        N
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        634        H
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        638        N
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        647        H
> bax_C_1J7P_N_H_Ca_mol1    124        MET        653        N
> bax_C_1J7P_N_H_Ca_mol1    124        MET        661        H
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        670        N
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        678        H
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        689        N
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        700        H
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        713        N
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        722        H
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        728        N
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        733        H
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        738        N
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        746        H
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        750        N
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        758        H
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        769        N
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        777        H
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        781        N
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        785        H
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        788        N
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        796        H
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        800        N
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        804        H
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        807        N
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        816        H
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        824        N
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        831        H
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        840        N
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        848        H
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        854        N
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        865        H
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        873        N
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        882        H
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        888        N
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        897        H
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        903        N
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        914        H
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        923        N
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        930        H
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        939        N
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        948        H
> bax_C_1J7P_N_H_Ca_mol1    144        MET        956        N
> bax_C_1J7P_N_H_Ca_mol1    144        MET        964        H
> bax_C_1J7P_N_H_Ca_mol1    145        MET        973        N
> bax_C_1J7P_N_H_Ca_mol1    145        MET        981        H
> bax_C_1J7P_N_H_Ca_mol1    146        THR        990        N
> bax_C_1J7P_N_H_Ca_mol1    146        THR        997        H
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1004       N
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1009       H
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1014       N
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1022       H
> bax_C_1J7P_N_H_Ca_mol2    1000       CA         1036       CA
> bax_C_1J7P_N_H_Ca_mol2    1001       CA         1037       CA
>
> relax> structure.vectors(attached='H', spin_id='@N', model=None, 
> verbosity=1, ave=False, unit=True)
> Extracting vectors from the single model.
> Calculating the unit vectors.
> The attached atom is a proton.
>
> RelaxWarning: Cannot find the atom in the structure (atom ID ':82@N').
> Extracted N-H vectors for ':83@N'.
> Extracted N-H vectors for ':84@N'.
> Extracted N-H vectors for ':85@N'.
> Extracted N-H vectors for ':86@N'.
> Extracted N-H vectors for ':87@N'.
> Extracted N-H vectors for ':88@N'.
> Extracted N-H vectors for ':89@N'.
> Extracted N-H vectors for ':90@N'.
> Extracted N-H vectors for ':91@N'.
> Extracted N-H vectors for ':92@N'.
> Extracted N-H vectors for ':93@N'.
> Extracted N-H vectors for ':94@N'.
> Extracted N-H vectors for ':95@N'.
> Extracted N-H vectors for ':96@N'.
> Extracted N-H vectors for ':97@N'.
> Extracted N-H vectors for ':98@N'.
> Extracted N-H vectors for ':99@N'.
> Extracted N-H vectors for ':100@N'.
> Extracted N-H vectors for ':101@N'.
> Extracted N-H vectors for ':102@N'.
> Extracted N-H vectors for ':103@N'.
> Extracted N-H vectors for ':104@N'.
> Extracted N-H vectors for ':105@N'.
> Extracted N-H vectors for ':106@N'.
> Extracted N-H vectors for ':107@N'.
> Extracted N-H vectors for ':108@N'.
> Extracted N-H vectors for ':109@N'.
> Extracted N-H vectors for ':110@N'.
> Extracted N-H vectors for ':111@N'.
> Extracted N-H vectors for ':112@N'.
> Extracted N-H vectors for ':113@N'.
> Extracted N-H vectors for ':114@N'.
> Extracted N-H vectors for ':115@N'.
> Extracted N-H vectors for ':116@N'.
> Extracted N-H vectors for ':117@N'.
> Extracted N-H vectors for ':118@N'.
> Extracted N-H vectors for ':119@N'.
> Extracted N-H vectors for ':120@N'.
> Extracted N-H vectors for ':121@N'.
> Extracted N-H vectors for ':122@N'.
> Extracted N-H vectors for ':123@N'.
> Extracted N-H vectors for ':124@N'.
> Extracted N-H vectors for ':125@N'.
> Extracted N-H vectors for ':126@N'.
> Extracted N-H vectors for ':127@N'.
> Extracted N-H vectors for ':128@N'.
> Extracted N-H vectors for ':129@N'.
> Extracted N-H vectors for ':130@N'.
> Extracted N-H vectors for ':131@N'.
> Extracted N-H vectors for ':132@N'.
> Extracted N-H vectors for ':133@N'.
> Extracted N-H vectors for ':134@N'.
> Extracted N-H vectors for ':135@N'.
> Extracted N-H vectors for ':136@N'.
> Extracted N-H vectors for ':137@N'.
> Extracted N-H vectors for ':138@N'.
> Extracted N-H vectors for ':139@N'.
> Extracted N-H vectors for ':140@N'.
> Extracted N-H vectors for ':141@N'.
> Extracted N-H vectors for ':142@N'.
> Extracted N-H vectors for ':143@N'.
> Extracted N-H vectors for ':144@N'.
> Extracted N-H vectors for ':145@N'.
> Extracted N-H vectors for ':146@N'.
> Extracted N-H vectors for ':147@N'.
> Extracted N-H vectors for ':148@N'.
>
> relax> value.set(val=1.0409999999999999e-10, param='bond_length', 
> spin_id='@N')
>
> relax> value.set(val='15N', param='heteronucleus', spin_id='@N')
>
> relax> value.set(val='1H', param='proton', spin_id='@N')
>
> relax> rdc.read(align_id='synth', file='synth_rdc_rand', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM', 
> spin_id_col=None, mol_name_col=1, res_num_col=2, res_name_col=3, 
> spin_num_col=4, spin_name_col=5, data_col=6, error_col=None, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM/synth_rdc_rand' 
> for reading.
>
> # spin_id                                  RDCs                 RDC_error
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@15&@N             3.50041894608             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@30&@N              15.058852286             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@45&@N             6.60052138912             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:111&:ASN@458&@N          -3.42652425216             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@472&@N          -3.10233875314             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@491&@N           9.94189222624             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@498&@N           -8.9193269605             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@513&@N           2.37098524736             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@535&@N          -6.37585104623             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@554&@N           13.9599443417             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@568&@N           3.68281325404             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@580&@N           -5.2698361668             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@595&@N           4.65264001333             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@610&@N           7.50520868831             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@626&@N          -4.65128051324             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@638&@N          -1.72468012783             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@653&@N           5.52289680809             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@689&@N          -2.52580362597             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@713&@N           1.60602730741             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@728&@N           2.98160534379             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@750&@N          -11.1081128033             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@769&@N           -1.1384020323             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@781&@N           4.52587502438             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@939&@N           4.39042119515             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@956&@N           5.61796380031             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@973&@N          -2.93824952863             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@990&@N           1.77384593911             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1004&@N          7.98066753298             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1014&@N         -2.77632582621             
>     None
>
> relax> pcs.read(align_id='synth', file='synth_pcs_rand', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM', 
> spin_id_col=None, mol_name_col=1, res_num_col=2, res_name_col=3, 
> spin_num_col=4, spin_name_col=5, data_col=6, error_col=None, sep=None, 
> spin_id=None)
>
> spin_id                                            value           error
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM/synth_pcs_rand' 
> for reading.
> #bax_C_1J7P_N_H_Ca_mol1:82&:GLU@1&@N                 0.90794432765          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@15&@N                0.67161503888          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@24&@H                0.54395613661          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@30&@N                0.82708948667          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@39&@H                0.89090369605          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@45&@N                1.92676349238          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@53&@H                 1.7450454769          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:86&:ARG@75&@H                1.84633848361          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:111&:ASN@458&@N             -0.91802699489          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@472&@N             -0.69773318411          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@480&@H              -0.6703650879          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@491&@N             -0.23899020416          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@495&@H             -0.68013203527          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@498&@N             -0.41430390311          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@507&@H             -0.38005141277          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@513&@N             -0.53301931949          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@522&@H             -0.72174462597          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@535&@N             -1.30335472561          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@543&@H             -1.24462648741          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@554&@N              -1.6106765602          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@561&@H             -1.05863664972          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@568&@N             -2.05217060454          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@576&@H             -2.12102627869          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@580&@N             -1.64790336741          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@589&@H             -1.59533685164          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@595&@N             -1.22500563481          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@604&@H             -1.30030635808          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@610&@N              -1.4950269362          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@617&@H             -1.92017378314          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@626&@N             -1.98985085174          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@634&@H             -2.18289023453          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@638&@N             -1.02093189728          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@647&@H             -1.11173540502          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@653&@N             -0.04407898699          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@661&@H             -0.49105648538          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@689&@N             -0.12348982105          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@700&@H             -0.26211153106          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@713&@N              0.73766649831          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@722&@H              0.47728539073          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@728&@N              1.61199300746          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@733&@H              1.49579775155          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@750&@N              1.86290472058          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@758&@H                2.545864449          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@769&@N              1.40491557426          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@777&@H              1.98872629157          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@781&@N              0.59122371846          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@785&@H              1.13867016669          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@939&@N              3.37272671868          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@948&@H              3.67030800834          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@956&@N              3.17053756434          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@964&@H              3.67840711443          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@973&@N              2.92400000331          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@981&@H              3.43230222919          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@990&@N              2.37935038198          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@997&@H              2.43496988605          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1004&@N              1.6051434536          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1009&@H             1.62422398559          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1014&@N             1.15301371414          
>   None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1022&@H             1.26621894748          
>   None
>
> relax> pcs.centre(pos=None, atom_id=':1000@CA', pipe=None, verbosity=1, 
> ave_pos=True, force=False)
> Paramagnetic centres located at:
>    [  32.555,  -19.130,   27.775]
>
> Average paramagnetic centre located at:
>    [  32.555,  -19.130,   27.775]
>
> Using the average paramagnetic position.
>
> relax> temperature(id='synth', temp=303)
>
> relax> frq(id='synth', frq=600000000.0)
>
> relax> n_state_model.select_model(model='fixed')
>
> relax> grid_search(lower=None, upper=None, inc=3, constraints=True, 
> verbosity=1)
> RelaxWarning: Turning constraints off.  These cannot be used for the 
> 'fixed' model.
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/n_state_model.py", line 
> 125, in test_align_fit_rand
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'n_state_model'+sep+'align_fit.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/n_state_model/align_fit.py",
>  line 73, in <module>
>    grid_search(inc=3)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1499, in 
> grid_search
>    self.minimise(min_algor='grid', min_options=[inc, lower, upper], 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1569, in 
> minimise
>    results = grid(func=model.func, args=(), num_incs=min_options[0], 
> lower=min_options[1], upper=min_options[2], A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ======================================================================
> ERROR: Test the use of RDCs to find the alignment tensor.
> ----------------------------------------------------------------------
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='rdc', pipe_type='N-state')
>
> relax> structure.read_pdb(file='bax_C_1J7P_N_H_Ca', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/structures', read_mol=None, 
> set_mol_name=None, read_model=None, set_model_num=None, parser='internal')
>
> Internal relax PDB parser.
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb'
>  for reading.
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol1' to model None (from the original 
> molecule number 1 of model None)
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol2' to model None (from the original 
> molecule number 2 of model None)
>
> relax> structure.load_spins(spin_id=None, combine_models=True, ave_pos=True)
> Adding the following spins to the relax data store.
>
> Renaming the unnamed sole molecule container to 'bax_C_1J7P_N_H_Ca_mol1'.
>
> # mol_name                res_num    res_name   spin_num   spin_name
> bax_C_1J7P_N_H_Ca_mol1    82         GLU        1          N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        15         N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        24         H
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        30         N
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        39         H
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        45         N
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        53         H
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        64         N
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        75         H
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        88         N
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        97         H
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        103        N
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        108        H
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        113        N
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        124        H
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        133        N
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        144        H
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        157        N
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        164        H
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        173        N
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        184        H
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        193        N
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        201        H
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        205        N
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        214        H
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        227        N
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        235        H
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        239        N
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        243        H
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        246        N
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        254        H
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        260        N
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        264        H
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        267        N
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        278        H
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        286        N
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        294        H
> bax_C_1J7P_N_H_Ca_mol1    101        SER        305        N
> bax_C_1J7P_N_H_Ca_mol1    101        SER        311        H
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        316        N
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        321        H
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        326        N
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        331        H
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        336        N
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        345        H
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        351        N
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        359        H
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        370        N
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        381        H
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        394        N
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        404        H
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        411        N
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        418        H
> bax_C_1J7P_N_H_Ca_mol1    109        MET        427        N
> bax_C_1J7P_N_H_Ca_mol1    109        MET        435        H
> bax_C_1J7P_N_H_Ca_mol1    110        THR        444        N
> bax_C_1J7P_N_H_Ca_mol1    110        THR        451        H
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        458        N
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        466        H
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        472        N
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        480        H
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        491        N
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        495        H
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        498        N
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        507        H
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        513        N
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        522        H
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        535        N
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        543        H
> bax_C_1J7P_N_H_Ca_mol1    117        THR        554        N
> bax_C_1J7P_N_H_Ca_mol1    117        THR        561        H
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        568        N
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        576        H
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        580        N
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        589        H
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        595        N
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        604        H
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        610        N
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        617        H
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        626        N
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        634        H
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        638        N
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        647        H
> bax_C_1J7P_N_H_Ca_mol1    124        MET        653        N
> bax_C_1J7P_N_H_Ca_mol1    124        MET        661        H
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        670        N
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        678        H
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        689        N
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        700        H
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        713        N
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        722        H
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        728        N
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        733        H
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        738        N
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        746        H
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        750        N
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        758        H
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        769        N
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        777        H
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        781        N
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        785        H
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        788        N
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        796        H
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        800        N
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        804        H
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        807        N
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        816        H
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        824        N
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        831        H
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        840        N
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        848        H
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        854        N
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        865        H
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        873        N
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        882        H
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        888        N
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        897        H
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        903        N
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        914        H
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        923        N
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        930        H
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        939        N
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        948        H
> bax_C_1J7P_N_H_Ca_mol1    144        MET        956        N
> bax_C_1J7P_N_H_Ca_mol1    144        MET        964        H
> bax_C_1J7P_N_H_Ca_mol1    145        MET        973        N
> bax_C_1J7P_N_H_Ca_mol1    145        MET        981        H
> bax_C_1J7P_N_H_Ca_mol1    146        THR        990        N
> bax_C_1J7P_N_H_Ca_mol1    146        THR        997        H
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1004       N
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1009       H
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1014       N
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1022       H
> bax_C_1J7P_N_H_Ca_mol2    1000       CA         1036       CA
> bax_C_1J7P_N_H_Ca_mol2    1001       CA         1037       CA
>
> relax> structure.vectors(attached='H', spin_id='@N', model=None, 
> verbosity=1, ave=False, unit=True)
> Extracting vectors from the single model.
> Calculating the unit vectors.
> The attached atom is a proton.
>
> RelaxWarning: Cannot find the atom in the structure (atom ID ':82@N').
> Extracted N-H vectors for ':83@N'.
> Extracted N-H vectors for ':84@N'.
> Extracted N-H vectors for ':85@N'.
> Extracted N-H vectors for ':86@N'.
> Extracted N-H vectors for ':87@N'.
> Extracted N-H vectors for ':88@N'.
> Extracted N-H vectors for ':89@N'.
> Extracted N-H vectors for ':90@N'.
> Extracted N-H vectors for ':91@N'.
> Extracted N-H vectors for ':92@N'.
> Extracted N-H vectors for ':93@N'.
> Extracted N-H vectors for ':94@N'.
> Extracted N-H vectors for ':95@N'.
> Extracted N-H vectors for ':96@N'.
> Extracted N-H vectors for ':97@N'.
> Extracted N-H vectors for ':98@N'.
> Extracted N-H vectors for ':99@N'.
> Extracted N-H vectors for ':100@N'.
> Extracted N-H vectors for ':101@N'.
> Extracted N-H vectors for ':102@N'.
> Extracted N-H vectors for ':103@N'.
> Extracted N-H vectors for ':104@N'.
> Extracted N-H vectors for ':105@N'.
> Extracted N-H vectors for ':106@N'.
> Extracted N-H vectors for ':107@N'.
> Extracted N-H vectors for ':108@N'.
> Extracted N-H vectors for ':109@N'.
> Extracted N-H vectors for ':110@N'.
> Extracted N-H vectors for ':111@N'.
> Extracted N-H vectors for ':112@N'.
> Extracted N-H vectors for ':113@N'.
> Extracted N-H vectors for ':114@N'.
> Extracted N-H vectors for ':115@N'.
> Extracted N-H vectors for ':116@N'.
> Extracted N-H vectors for ':117@N'.
> Extracted N-H vectors for ':118@N'.
> Extracted N-H vectors for ':119@N'.
> Extracted N-H vectors for ':120@N'.
> Extracted N-H vectors for ':121@N'.
> Extracted N-H vectors for ':122@N'.
> Extracted N-H vectors for ':123@N'.
> Extracted N-H vectors for ':124@N'.
> Extracted N-H vectors for ':125@N'.
> Extracted N-H vectors for ':126@N'.
> Extracted N-H vectors for ':127@N'.
> Extracted N-H vectors for ':128@N'.
> Extracted N-H vectors for ':129@N'.
> Extracted N-H vectors for ':130@N'.
> Extracted N-H vectors for ':131@N'.
> Extracted N-H vectors for ':132@N'.
> Extracted N-H vectors for ':133@N'.
> Extracted N-H vectors for ':134@N'.
> Extracted N-H vectors for ':135@N'.
> Extracted N-H vectors for ':136@N'.
> Extracted N-H vectors for ':137@N'.
> Extracted N-H vectors for ':138@N'.
> Extracted N-H vectors for ':139@N'.
> Extracted N-H vectors for ':140@N'.
> Extracted N-H vectors for ':141@N'.
> Extracted N-H vectors for ':142@N'.
> Extracted N-H vectors for ':143@N'.
> Extracted N-H vectors for ':144@N'.
> Extracted N-H vectors for ':145@N'.
> Extracted N-H vectors for ':146@N'.
> Extracted N-H vectors for ':147@N'.
> Extracted N-H vectors for ':148@N'.
>
> relax> value.set(val=1.0409999999999999e-10, param='bond_length', 
> spin_id='@N')
>
> relax> value.set(val='15N', param='heteronucleus', spin_id='@N')
>
> relax> value.set(val='1H', param='proton', spin_id='@N')
>
> relax> rdc.read(align_id='synth', file='synth_rdc', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM', 
> spin_id_col=None, mol_name_col=1, res_num_col=2, res_name_col=3, 
> spin_num_col=4, spin_name_col=5, data_col=6, error_col=None, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM/synth_rdc' for 
> reading.
>
> # spin_id                                  RDCs                 RDC_error
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@15&@N             5.59633342475             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@30&@N             13.3135794077             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@45&@N              7.0382697213             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:111&:ASN@458&@N          -3.39286328073             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@472&@N          -2.09118060289             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@491&@N           11.4431495067             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@498&@N          -9.06351706695             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@513&@N           2.33713806872             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@535&@N          -5.81432510092             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@554&@N           13.1021212842             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@568&@N           2.52845064335             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@580&@N          -4.70528375938             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@595&@N            4.0796548034             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@610&@N           6.28030444828             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@626&@N          -4.69179757106             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@638&@N          -2.34216201798             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@653&@N           3.89567105101             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@689&@N          -5.51427513007             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@713&@N           0.72184322202             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@728&@N           3.81502890358             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@750&@N          -10.8835425395             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@769&@N          -1.66151988717             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@781&@N           4.29930397984             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@939&@N            4.4695044765             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@956&@N           6.99742077188             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@973&@N          -2.27879506276             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@990&@N           3.64303288709             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1004&@N          6.83945430255             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1014&@N         -3.19585334782             
>     None
>
> relax> n_state_model.select_model(model='fixed')
>
> relax> grid_search(lower=None, upper=None, inc=3, constraints=True, 
> verbosity=1)
> RelaxWarning: Turning constraints off.  These cannot be used for the 
> 'fixed' model.
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/n_state_model.py", line 
> 186, in test_align_fit_rdc
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'n_state_model'+sep+'align_fit.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/n_state_model/align_fit.py",
>  line 73, in <module>
>    grid_search(inc=3)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1499, in 
> grid_search
>    self.minimise(min_algor='grid', min_options=[inc, lower, upper], 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1569, in 
> minimise
>    results = grid(func=model.func, args=(), num_incs=min_options[0], 
> lower=min_options[1], upper=min_options[2], A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ======================================================================
> ERROR: Test the use of randomised RDCs to find the alignment tensor.
> ----------------------------------------------------------------------
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='rdc', pipe_type='N-state')
>
> relax> structure.read_pdb(file='bax_C_1J7P_N_H_Ca', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/structures', read_mol=None, 
> set_mol_name=None, read_model=None, set_model_num=None, parser='internal')
>
> Internal relax PDB parser.
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/structures/bax_C_1J7P_N_H_Ca.pdb'
>  for reading.
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol1' to model None (from the original 
> molecule number 1 of model None)
> Adding molecule 'bax_C_1J7P_N_H_Ca_mol2' to model None (from the original 
> molecule number 2 of model None)
>
> relax> structure.load_spins(spin_id=None, combine_models=True, ave_pos=True)
> Adding the following spins to the relax data store.
>
> Renaming the unnamed sole molecule container to 'bax_C_1J7P_N_H_Ca_mol1'.
>
> # mol_name                res_num    res_name   spin_num   spin_name
> bax_C_1J7P_N_H_Ca_mol1    82         GLU        1          N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        15         N
> bax_C_1J7P_N_H_Ca_mol1    83         GLU        24         H
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        30         N
> bax_C_1J7P_N_H_Ca_mol1    84         GLU        39         H
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        45         N
> bax_C_1J7P_N_H_Ca_mol1    85         ILE        53         H
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        64         N
> bax_C_1J7P_N_H_Ca_mol1    86         ARG        75         H
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        88         N
> bax_C_1J7P_N_H_Ca_mol1    87         GLU        97         H
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        103        N
> bax_C_1J7P_N_H_Ca_mol1    88         ALA        108        H
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        113        N
> bax_C_1J7P_N_H_Ca_mol1    89         PHE        124        H
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        133        N
> bax_C_1J7P_N_H_Ca_mol1    90         ARG        144        H
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        157        N
> bax_C_1J7P_N_H_Ca_mol1    91         VAL        164        H
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        173        N
> bax_C_1J7P_N_H_Ca_mol1    92         PHE        184        H
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        193        N
> bax_C_1J7P_N_H_Ca_mol1    93         ASP        201        H
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        205        N
> bax_C_1J7P_N_H_Ca_mol1    94         LYS        214        H
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        227        N
> bax_C_1J7P_N_H_Ca_mol1    95         ASP        235        H
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        239        N
> bax_C_1J7P_N_H_Ca_mol1    96         GLY        243        H
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        246        N
> bax_C_1J7P_N_H_Ca_mol1    97         ASN        254        H
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        260        N
> bax_C_1J7P_N_H_Ca_mol1    98         GLY        264        H
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        267        N
> bax_C_1J7P_N_H_Ca_mol1    99         TYR        278        H
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        286        N
> bax_C_1J7P_N_H_Ca_mol1    100        ILE        294        H
> bax_C_1J7P_N_H_Ca_mol1    101        SER        305        N
> bax_C_1J7P_N_H_Ca_mol1    101        SER        311        H
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        316        N
> bax_C_1J7P_N_H_Ca_mol1    102        ALA        321        H
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        326        N
> bax_C_1J7P_N_H_Ca_mol1    103        ALA        331        H
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        336        N
> bax_C_1J7P_N_H_Ca_mol1    104        GLU        345        H
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        351        N
> bax_C_1J7P_N_H_Ca_mol1    105        LEU        359        H
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        370        N
> bax_C_1J7P_N_H_Ca_mol1    106        ARG        381        H
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        394        N
> bax_C_1J7P_N_H_Ca_mol1    107        HIS        404        H
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        411        N
> bax_C_1J7P_N_H_Ca_mol1    108        VAL        418        H
> bax_C_1J7P_N_H_Ca_mol1    109        MET        427        N
> bax_C_1J7P_N_H_Ca_mol1    109        MET        435        H
> bax_C_1J7P_N_H_Ca_mol1    110        THR        444        N
> bax_C_1J7P_N_H_Ca_mol1    110        THR        451        H
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        458        N
> bax_C_1J7P_N_H_Ca_mol1    111        ASN        466        H
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        472        N
> bax_C_1J7P_N_H_Ca_mol1    112        LEU        480        H
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        491        N
> bax_C_1J7P_N_H_Ca_mol1    113        GLY        495        H
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        498        N
> bax_C_1J7P_N_H_Ca_mol1    114        GLU        507        H
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        513        N
> bax_C_1J7P_N_H_Ca_mol1    115        LYS        522        H
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        535        N
> bax_C_1J7P_N_H_Ca_mol1    116        LEU        543        H
> bax_C_1J7P_N_H_Ca_mol1    117        THR        554        N
> bax_C_1J7P_N_H_Ca_mol1    117        THR        561        H
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        568        N
> bax_C_1J7P_N_H_Ca_mol1    118        ASP        576        H
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        580        N
> bax_C_1J7P_N_H_Ca_mol1    119        GLU        589        H
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        595        N
> bax_C_1J7P_N_H_Ca_mol1    120        GLU        604        H
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        610        N
> bax_C_1J7P_N_H_Ca_mol1    121        VAL        617        H
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        626        N
> bax_C_1J7P_N_H_Ca_mol1    122        ASP        634        H
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        638        N
> bax_C_1J7P_N_H_Ca_mol1    123        GLU        647        H
> bax_C_1J7P_N_H_Ca_mol1    124        MET        653        N
> bax_C_1J7P_N_H_Ca_mol1    124        MET        661        H
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        670        N
> bax_C_1J7P_N_H_Ca_mol1    125        ILE        678        H
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        689        N
> bax_C_1J7P_N_H_Ca_mol1    126        ARG        700        H
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        713        N
> bax_C_1J7P_N_H_Ca_mol1    127        GLU        722        H
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        728        N
> bax_C_1J7P_N_H_Ca_mol1    128        ALA        733        H
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        738        N
> bax_C_1J7P_N_H_Ca_mol1    129        ASP        746        H
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        750        N
> bax_C_1J7P_N_H_Ca_mol1    130        ILE        758        H
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        769        N
> bax_C_1J7P_N_H_Ca_mol1    131        ASP        777        H
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        781        N
> bax_C_1J7P_N_H_Ca_mol1    132        GLY        785        H
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        788        N
> bax_C_1J7P_N_H_Ca_mol1    133        ASP        796        H
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        800        N
> bax_C_1J7P_N_H_Ca_mol1    134        GLY        804        H
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        807        N
> bax_C_1J7P_N_H_Ca_mol1    135        GLN        816        H
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        824        N
> bax_C_1J7P_N_H_Ca_mol1    136        VAL        831        H
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        840        N
> bax_C_1J7P_N_H_Ca_mol1    137        ASN        848        H
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        854        N
> bax_C_1J7P_N_H_Ca_mol1    138        TYR        865        H
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        873        N
> bax_C_1J7P_N_H_Ca_mol1    139        GLU        882        H
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        888        N
> bax_C_1J7P_N_H_Ca_mol1    140        GLU        897        H
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        903        N
> bax_C_1J7P_N_H_Ca_mol1    141        PHE        914        H
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        923        N
> bax_C_1J7P_N_H_Ca_mol1    142        VAL        930        H
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        939        N
> bax_C_1J7P_N_H_Ca_mol1    143        GLN        948        H
> bax_C_1J7P_N_H_Ca_mol1    144        MET        956        N
> bax_C_1J7P_N_H_Ca_mol1    144        MET        964        H
> bax_C_1J7P_N_H_Ca_mol1    145        MET        973        N
> bax_C_1J7P_N_H_Ca_mol1    145        MET        981        H
> bax_C_1J7P_N_H_Ca_mol1    146        THR        990        N
> bax_C_1J7P_N_H_Ca_mol1    146        THR        997        H
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1004       N
> bax_C_1J7P_N_H_Ca_mol1    147        ALA        1009       H
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1014       N
> bax_C_1J7P_N_H_Ca_mol1    148        LYS        1022       H
> bax_C_1J7P_N_H_Ca_mol2    1000       CA         1036       CA
> bax_C_1J7P_N_H_Ca_mol2    1001       CA         1037       CA
>
> relax> structure.vectors(attached='H', spin_id='@N', model=None, 
> verbosity=1, ave=False, unit=True)
> Extracting vectors from the single model.
> Calculating the unit vectors.
> The attached atom is a proton.
>
> RelaxWarning: Cannot find the atom in the structure (atom ID ':82@N').
> Extracted N-H vectors for ':83@N'.
> Extracted N-H vectors for ':84@N'.
> Extracted N-H vectors for ':85@N'.
> Extracted N-H vectors for ':86@N'.
> Extracted N-H vectors for ':87@N'.
> Extracted N-H vectors for ':88@N'.
> Extracted N-H vectors for ':89@N'.
> Extracted N-H vectors for ':90@N'.
> Extracted N-H vectors for ':91@N'.
> Extracted N-H vectors for ':92@N'.
> Extracted N-H vectors for ':93@N'.
> Extracted N-H vectors for ':94@N'.
> Extracted N-H vectors for ':95@N'.
> Extracted N-H vectors for ':96@N'.
> Extracted N-H vectors for ':97@N'.
> Extracted N-H vectors for ':98@N'.
> Extracted N-H vectors for ':99@N'.
> Extracted N-H vectors for ':100@N'.
> Extracted N-H vectors for ':101@N'.
> Extracted N-H vectors for ':102@N'.
> Extracted N-H vectors for ':103@N'.
> Extracted N-H vectors for ':104@N'.
> Extracted N-H vectors for ':105@N'.
> Extracted N-H vectors for ':106@N'.
> Extracted N-H vectors for ':107@N'.
> Extracted N-H vectors for ':108@N'.
> Extracted N-H vectors for ':109@N'.
> Extracted N-H vectors for ':110@N'.
> Extracted N-H vectors for ':111@N'.
> Extracted N-H vectors for ':112@N'.
> Extracted N-H vectors for ':113@N'.
> Extracted N-H vectors for ':114@N'.
> Extracted N-H vectors for ':115@N'.
> Extracted N-H vectors for ':116@N'.
> Extracted N-H vectors for ':117@N'.
> Extracted N-H vectors for ':118@N'.
> Extracted N-H vectors for ':119@N'.
> Extracted N-H vectors for ':120@N'.
> Extracted N-H vectors for ':121@N'.
> Extracted N-H vectors for ':122@N'.
> Extracted N-H vectors for ':123@N'.
> Extracted N-H vectors for ':124@N'.
> Extracted N-H vectors for ':125@N'.
> Extracted N-H vectors for ':126@N'.
> Extracted N-H vectors for ':127@N'.
> Extracted N-H vectors for ':128@N'.
> Extracted N-H vectors for ':129@N'.
> Extracted N-H vectors for ':130@N'.
> Extracted N-H vectors for ':131@N'.
> Extracted N-H vectors for ':132@N'.
> Extracted N-H vectors for ':133@N'.
> Extracted N-H vectors for ':134@N'.
> Extracted N-H vectors for ':135@N'.
> Extracted N-H vectors for ':136@N'.
> Extracted N-H vectors for ':137@N'.
> Extracted N-H vectors for ':138@N'.
> Extracted N-H vectors for ':139@N'.
> Extracted N-H vectors for ':140@N'.
> Extracted N-H vectors for ':141@N'.
> Extracted N-H vectors for ':142@N'.
> Extracted N-H vectors for ':143@N'.
> Extracted N-H vectors for ':144@N'.
> Extracted N-H vectors for ':145@N'.
> Extracted N-H vectors for ':146@N'.
> Extracted N-H vectors for ':147@N'.
> Extracted N-H vectors for ':148@N'.
>
> relax> value.set(val=1.0409999999999999e-10, param='bond_length', 
> spin_id='@N')
>
> relax> value.set(val='15N', param='heteronucleus', spin_id='@N')
>
> relax> value.set(val='1H', param='proton', spin_id='@N')
>
> relax> rdc.read(align_id='synth', file='synth_rdc_rand', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM', 
> spin_id_col=None, mol_name_col=1, res_num_col=2, res_name_col=3, 
> spin_num_col=4, spin_name_col=5, data_col=6, error_col=None, sep=None, 
> spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/align_data/CaM/synth_rdc_rand' 
> for reading.
>
> # spin_id                                  RDCs                 RDC_error
> #bax_C_1J7P_N_H_Ca_mol1:83&:GLU@15&@N             3.50041894608             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:84&:GLU@30&@N              15.058852286             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:85&:ILE@45&@N             6.60052138912             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:111&:ASN@458&@N          -3.42652425216             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:112&:LEU@472&@N          -3.10233875314             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:113&:GLY@491&@N           9.94189222624             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:114&:GLU@498&@N           -8.9193269605             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:115&:LYS@513&@N           2.37098524736             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:116&:LEU@535&@N          -6.37585104623             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:117&:THR@554&@N           13.9599443417             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:118&:ASP@568&@N           3.68281325404             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:119&:GLU@580&@N           -5.2698361668             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:120&:GLU@595&@N           4.65264001333             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:121&:VAL@610&@N           7.50520868831             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:122&:ASP@626&@N          -4.65128051324             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:123&:GLU@638&@N          -1.72468012783             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:124&:MET@653&@N           5.52289680809             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:126&:ARG@689&@N          -2.52580362597             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:127&:GLU@713&@N           1.60602730741             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:128&:ALA@728&@N           2.98160534379             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:130&:ILE@750&@N          -11.1081128033             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:131&:ASP@769&@N           -1.1384020323             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:132&:GLY@781&@N           4.52587502438             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:143&:GLN@939&@N           4.39042119515             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:144&:MET@956&@N           5.61796380031             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:145&:MET@973&@N          -2.93824952863             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:146&:THR@990&@N           1.77384593911             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:147&:ALA@1004&@N          7.98066753298             
>     None
> #bax_C_1J7P_N_H_Ca_mol1:148&:LYS@1014&@N         -2.77632582621             
>     None
>
> relax> n_state_model.select_model(model='fixed')
>
> relax> grid_search(lower=None, upper=None, inc=3, constraints=True, 
> verbosity=1)
> RelaxWarning: Turning constraints off.  These cannot be used for the 
> 'fixed' model.
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/n_state_model.py", line 
> 208, in test_align_fit_rdc_rand
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'n_state_model'+sep+'align_fit.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/n_state_model/align_fit.py",
>  line 73, in <module>
>    grid_search(inc=3)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1499, in 
> grid_search
>    self.minimise(min_algor='grid', min_options=[inc, lower, upper], 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/n_state_model.py", line 1569, in 
> minimise
>    results = grid(func=model.func, args=(), num_incs=min_options[0], 
> lower=min_options[1], upper=min_options[2], A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ======================================================================
> ERROR: Test the relaxation curve fitting, replicating bug #12670 and bug 
> #12679.
> ----------------------------------------------------------------------
>
> relax> pipe.create(pipe_name='mf', pipe_type='mf')
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='rx', pipe_type='relax_fit')
>
> relax> sequence.read(file='1UBQ.seq', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/sequence', spin_id_col=None, 
> mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, 
> spin_name_col=5, sep=None, spin_id=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/sequence/1UBQ.seq' for reading.
>
> # mol_name res_num    res_name   spin_num   spin_name
> A          1          MET        1          N
> A          2          GLN        9          N
> A          3          ILE        18         N
> A          4          PHE        26         N
> A          5          VAL        37         N
> A          6          LYS        44         N
> A          7          THR        53         N
> A          8          LEU        60         N
> A          9          THR        68         N
> A          10         GLY        75         N
> A          11         LYS        79         N
> A          12         THR        88         N
> A          13         ILE        95         N
> A          14         THR        103        N
> A          15         LEU        110        N
> A          16         GLU        118        N
> A          17         VAL        127        N
> A          18         GLU        134        N
> A          19         PRO        143        N
> A          20         SER        150        N
> A          21         ASP        156        N
> A          22         THR        164        N
> A          23         ILE        171        N
> A          24         GLU        179        N
> A          25         ASN        188        N
> A          26         VAL        196        N
> A          27         LYS        203        N
> A          28         ALA        212        N
> A          29         LYS        217        N
> A          30         ILE        226        N
> A          31         GLN        234        N
> A          32         ASP        243        N
> A          33         LYS        251        N
> A          34         GLU        260        N
> A          35         GLY        269        N
> A          36         ILE        273        N
> A          37         PRO        281        N
> A          38         PRO        288        N
> A          39         ASP        295        N
> A          40         GLN        303        N
> A          41         GLN        312        N
> A          42         ARG        321        N
> A          43         LEU        332        N
> A          44         ILE        340        N
> A          45         PHE        348        N
> A          46         ALA        359        N
> A          47         GLY        364        N
> A          48         LYS        368        N
> A          49         GLN        377        N
> A          50         LEU        386        N
> A          51         GLU        394        N
> A          52         ASP        403        N
> A          53         GLY        411        N
> A          54         ARG        415        N
> A          55         THR        426        N
> A          56         LEU        433        N
> A          57         SER        441        N
> A          58         ASP        447        N
> A          59         TYR        455        N
> A          60         ASN        467        N
> A          61         ILE        475        N
> A          62         GLN        483        N
> A          63         LYS        492        N
> A          64         GLU        501        N
> A          65         SER        510        N
> A          66         THR        516        N
> A          67         LEU        523        N
> A          68         HIS        531        N
> A          69         LEU        541        N
> A          70         VAL        549        N
> A          71         LEU        556        N
> A          72         ARG        564        N
> A          73         LEU        575        N
> A          74         ARG        583        N
> A          75         GLY        594        N
> A          76         GLY        598        N
>
> relax> spectrum.read_intensities(file='700mhz-263k-1m-02.listb', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/peak_lists', 
> spectrum_id='700mhz-263k-1m-02', heteronuc='N', proton='H', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/peak_lists/700mhz-263k-1m-02.listb'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
>
> relax> relax_fit.relax_time(time=0.0040000000000000001, 
> spectrum_id='700mhz-263k-1m-02')
>
> relax> spectrum.read_intensities(file='700mhz-263k-1m-04.listb', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/peak_lists', 
> spectrum_id='700mhz-263k-1m-04', heteronuc='N', proton='H', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/peak_lists/700mhz-263k-1m-04.listb'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
>
> relax> relax_fit.relax_time(time=0.0080000000000000002, 
> spectrum_id='700mhz-263k-1m-04')
>
> relax> spectrum.read_intensities(file='700mhz-263k-1m-06.listb', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/peak_lists', 
> spectrum_id='700mhz-263k-1m-06', heteronuc='N', proton='H', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/peak_lists/700mhz-263k-1m-06.listb'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
>
> relax> relax_fit.relax_time(time=0.012, spectrum_id='700mhz-263k-1m-06')
>
> relax> spectrum.read_intensities(file='700mhz-263k-1m-08.listb', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/peak_lists', 
> spectrum_id='700mhz-263k-1m-08', heteronuc='N', proton='H', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/peak_lists/700mhz-263k-1m-08.listb'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
>
> relax> relax_fit.relax_time(time=0.016, spectrum_id='700mhz-263k-1m-08')
>
> relax> spectrum.read_intensities(file='700mhz-263k-1m-10.listb', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/peak_lists', 
> spectrum_id='700mhz-263k-1m-10', heteronuc='N', proton='H', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/peak_lists/700mhz-263k-1m-10.listb'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
>
> relax> relax_fit.relax_time(time=0.02, spectrum_id='700mhz-263k-1m-10')
>
> relax> spectrum.read_intensities(file='700mhz-263k-1m-12.listb', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/peak_lists', 
> spectrum_id='700mhz-263k-1m-12', heteronuc='N', proton='H', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/peak_lists/700mhz-263k-1m-12.listb'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
>
> relax> relax_fit.relax_time(time=0.024, spectrum_id='700mhz-263k-1m-12')
>
> relax> spectrum.read_intensities(file='700mhz-263k-1m-14.listb', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/peak_lists', 
> spectrum_id='700mhz-263k-1m-14', heteronuc='N', proton='H', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/peak_lists/700mhz-263k-1m-14.listb'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
>
> relax> relax_fit.relax_time(time=0.028000000000000001, 
> spectrum_id='700mhz-263k-1m-14')
>
> relax> spectrum.read_intensities(file='700mhz-263k-1m-16.listb', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/peak_lists', 
> spectrum_id='700mhz-263k-1m-16', heteronuc='N', proton='H', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/peak_lists/700mhz-263k-1m-16.listb'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
>
> relax> relax_fit.relax_time(time=0.032000000000000001, 
> spectrum_id='700mhz-263k-1m-16')
>
> relax> spectrum.baseplane_rmsd(error=20570, 
> spectrum_id='700mhz-263k-1m-02', spin_id=None)
>
> relax> spectrum.baseplane_rmsd(error=20570, 
> spectrum_id='700mhz-263k-1m-04', spin_id=None)
>
> relax> spectrum.baseplane_rmsd(error=18125, 
> spectrum_id='700mhz-263k-1m-06', spin_id=None)
>
> relax> spectrum.baseplane_rmsd(error=15560, 
> spectrum_id='700mhz-263k-1m-08', spin_id=None)
>
> relax> spectrum.baseplane_rmsd(error=15652, 
> spectrum_id='700mhz-263k-1m-10', spin_id=None)
>
> relax> spectrum.baseplane_rmsd(error=16500, 
> spectrum_id='700mhz-263k-1m-12', spin_id=None)
>
> relax> spectrum.baseplane_rmsd(error=16000, 
> spectrum_id='700mhz-263k-1m-14', spin_id=None)
>
> relax> spectrum.baseplane_rmsd(error=16700, 
> spectrum_id='700mhz-263k-1m-16', spin_id=None)
>
> relax> spectrum.error_analysis()
> Intensity measure:  Peak heights.
> Replicated spectra:  No.
>
> relax> relax_fit.select_model(model='exp')
> Two parameter exponential fit.
>
> relax> grid_search(lower=None, upper=None, inc=11, constraints=True, 
> verbosity=1)
>
>
> Over-fit spin deselection.
>
> RelaxWarning: The spin '#A:1&:MET@1&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:3&:ILE@18&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:4&:PHE@26&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:5&:VAL@37&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:6&:LYS@44&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:7&:THR@53&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:8&:LEU@60&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:9&:THR@68&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:10&:GLY@75&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:11&:LYS@79&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:12&:THR@88&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:13&:ILE@95&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:14&:THR@103&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:15&:LEU@110&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:16&:GLU@118&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:17&:VAL@127&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:18&:GLU@134&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:19&:PRO@143&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:20&:SER@150&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:21&:ASP@156&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:22&:THR@164&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:23&:ILE@171&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:24&:GLU@179&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:25&:ASN@188&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:26&:VAL@196&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:27&:LYS@203&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:28&:ALA@212&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:29&:LYS@217&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:30&:ILE@226&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:31&:GLN@234&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:32&:ASP@243&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:33&:LYS@251&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:34&:GLU@260&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:35&:GLY@269&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:36&:ILE@273&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:37&:PRO@281&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:38&:PRO@288&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:39&:ASP@295&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:40&:GLN@303&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:41&:GLN@312&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:42&:ARG@321&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:43&:LEU@332&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:44&:ILE@340&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:45&:PHE@348&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:46&:ALA@359&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:47&:GLY@364&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:48&:LYS@368&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:49&:GLN@377&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:50&:LEU@386&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:51&:GLU@394&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:52&:ASP@403&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:53&:GLY@411&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:54&:ARG@415&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:55&:THR@426&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:56&:LEU@433&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:57&:SER@441&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:58&:ASP@447&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:59&:TYR@455&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:60&:ASN@467&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:61&:ILE@475&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:62&:GLN@483&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:63&:LYS@492&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:64&:GLU@501&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:65&:SER@510&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:66&:THR@516&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:67&:LEU@523&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:68&:HIS@531&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:69&:LEU@541&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:70&:VAL@549&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:71&:LEU@556&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:72&:ARG@564&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:73&:LEU@575&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:74&:ARG@583&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:75&:GLY@594&@N' has been deselected because of 
> missing intensity data.
> RelaxWarning: The spin '#A:76&:GLY@598&@N' has been deselected because of 
> missing intensity data.
>
>
> Fitting to spin '#A:2&:GLN@9&@N'
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/relax_fit.py", line 66, 
> in test_bug_12670_12679
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'1UBQ_relax_fit.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File 
> "/sw/lib/relax-py26/test_suite/system_tests/scripts/1UBQ_relax_fit.py", 
> line 81, in <module>
>    grid_search(inc=11)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/relax_fit.py", line 658, in 
> grid_search
>    self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/relax_fit.py", line 775, in minimise
>    results = grid(func=func, args=(), num_incs=inc, lower=lower, 
> upper=upper, A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ======================================================================
> ERROR: Test the relaxation curve fitting C modules.
> ----------------------------------------------------------------------
>
> relax> pipe.create(pipe_name='mf', pipe_type='mf')
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
>
> relax> pipe.create(pipe_name='rx', pipe_type='relax_fit')
>
> relax> sequence.read(file='Ap4Aase.seq', 
> dir='/sw/lib/relax-py26/test_suite/shared_data', spin_id_col=None, 
> mol_name_col=None, res_num_col=1, res_name_col=2, spin_num_col=None, 
> spin_name_col=None, sep=None, spin_id=None)
> Opening the file '/sw/lib/relax-py26/test_suite/shared_data/Ap4Aase.seq' 
> for reading.
>
>
>
> relax> spin.name(spin_id=None, name='N', force=False)
>
> relax> spectrum.read_intensities(file='T2_ncyc1_ave.list', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/curve_fitting', 
> spectrum_id='T2_ncyc1_ave', heteronuc='N', proton='HN', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/curve_fitting/T2_ncyc1_ave.list' 
> for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
> RelaxWarning: Cannot find the spin :332@N within the sequence.
> RelaxWarning: Cannot find the spin :345@N within the sequence.
> RelaxWarning: Cannot find the spin :346@N within the sequence.
> RelaxWarning: Cannot find the spin :358@N within the sequence.
> RelaxWarning: Cannot find the spin :361@N within the sequence.
> RelaxWarning: Proton and heteronucleus names do not match, skipping the 
> data ['SS358N-HN', '111.682', '6.885', '79765'].
>
> relax> relax_fit.relax_time(time=0.017600000000000001, 
> spectrum_id='T2_ncyc1_ave')
>
> relax> spectrum.read_intensities(file='T2_ncyc1b_ave.list', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/curve_fitting', 
> spectrum_id='T2_ncyc1b_ave', heteronuc='N', proton='HN', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/curve_fitting/T2_ncyc1b_ave.list'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
> RelaxWarning: Cannot find the spin :332@N within the sequence.
> RelaxWarning: Cannot find the spin :345@N within the sequence.
> RelaxWarning: Cannot find the spin :346@N within the sequence.
> RelaxWarning: Cannot find the spin :358@N within the sequence.
> RelaxWarning: Cannot find the spin :361@N within the sequence.
> RelaxWarning: Proton and heteronucleus names do not match, skipping the 
> data ['SS358N-HN', '111.682', '6.885', '66635'].
>
> relax> relax_fit.relax_time(time=0.017600000000000001, 
> spectrum_id='T2_ncyc1b_ave')
>
> relax> spectrum.read_intensities(file='T2_ncyc2_ave.list', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/curve_fitting', 
> spectrum_id='T2_ncyc2_ave', heteronuc='N', proton='HN', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/curve_fitting/T2_ncyc2_ave.list' 
> for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
> RelaxWarning: Cannot find the spin :332@N within the sequence.
> RelaxWarning: Cannot find the spin :345@N within the sequence.
> RelaxWarning: Cannot find the spin :346@N within the sequence.
> RelaxWarning: Cannot find the spin :358@N within the sequence.
> RelaxWarning: Cannot find the spin :361@N within the sequence.
> RelaxWarning: Proton and heteronucleus names do not match, skipping the 
> data ['SS358N-HN', '111.682', '6.885', '75780'].
>
> relax> relax_fit.relax_time(time=0.035200000000000002, 
> spectrum_id='T2_ncyc2_ave')
>
> relax> spectrum.read_intensities(file='T2_ncyc4_ave.list', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/curve_fitting', 
> spectrum_id='T2_ncyc4_ave', heteronuc='N', proton='HN', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/curve_fitting/T2_ncyc4_ave.list' 
> for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
> RelaxWarning: Cannot find the spin :332@N within the sequence.
> RelaxWarning: Cannot find the spin :345@N within the sequence.
> RelaxWarning: Cannot find the spin :346@N within the sequence.
> RelaxWarning: Cannot find the spin :358@N within the sequence.
> RelaxWarning: Cannot find the spin :361@N within the sequence.
> RelaxWarning: Proton and heteronucleus names do not match, skipping the 
> data ['SS358N-HN', '111.682', '6.885', '43924'].
>
> relax> relax_fit.relax_time(time=0.070400000000000004, 
> spectrum_id='T2_ncyc4_ave')
>
> relax> spectrum.read_intensities(file='T2_ncyc4b_ave.list', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/curve_fitting', 
> spectrum_id='T2_ncyc4b_ave', heteronuc='N', proton='HN', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/curve_fitting/T2_ncyc4b_ave.list'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
> RelaxWarning: Cannot find the spin :332@N within the sequence.
> RelaxWarning: Cannot find the spin :345@N within the sequence.
> RelaxWarning: Cannot find the spin :346@N within the sequence.
> RelaxWarning: Cannot find the spin :358@N within the sequence.
> RelaxWarning: Cannot find the spin :361@N within the sequence.
> RelaxWarning: Proton and heteronucleus names do not match, skipping the 
> data ['SS358N-HN', '111.682', '6.885', '60736'].
>
> relax> relax_fit.relax_time(time=0.070400000000000004, 
> spectrum_id='T2_ncyc4b_ave')
>
> relax> spectrum.read_intensities(file='T2_ncyc6_ave.list', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/curve_fitting', 
> spectrum_id='T2_ncyc6_ave', heteronuc='N', proton='HN', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/curve_fitting/T2_ncyc6_ave.list' 
> for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
> RelaxWarning: Cannot find the spin :332@N within the sequence.
> RelaxWarning: Cannot find the spin :345@N within the sequence.
> RelaxWarning: Cannot find the spin :346@N within the sequence.
> RelaxWarning: Cannot find the spin :358@N within the sequence.
> RelaxWarning: Cannot find the spin :361@N within the sequence.
> RelaxWarning: Proton and heteronucleus names do not match, skipping the 
> data ['SS358N-HN', '111.682', '6.885', '43565'].
>
> relax> relax_fit.relax_time(time=0.1056, spectrum_id='T2_ncyc6_ave')
>
> relax> spectrum.read_intensities(file='T2_ncyc9_ave.list', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/curve_fitting', 
> spectrum_id='T2_ncyc9_ave', heteronuc='N', proton='HN', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/curve_fitting/T2_ncyc9_ave.list' 
> for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
> RelaxWarning: Cannot find the spin :332@N within the sequence.
> RelaxWarning: Cannot find the spin :345@N within the sequence.
> RelaxWarning: Cannot find the spin :346@N within the sequence.
> RelaxWarning: Cannot find the spin :358@N within the sequence.
> RelaxWarning: Cannot find the spin :361@N within the sequence.
> RelaxWarning: Proton and heteronucleus names do not match, skipping the 
> data ['SS358N-HN', '111.682', '6.885', '2360'].
>
> relax> relax_fit.relax_time(time=0.15840000000000001, 
> spectrum_id='T2_ncyc9_ave')
>
> relax> spectrum.read_intensities(file='T2_ncyc9b_ave.list', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/curve_fitting', 
> spectrum_id='T2_ncyc9b_ave', heteronuc='N', proton='HN', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/curve_fitting/T2_ncyc9b_ave.list'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
> RelaxWarning: Cannot find the spin :332@N within the sequence.
> RelaxWarning: Cannot find the spin :345@N within the sequence.
> RelaxWarning: Cannot find the spin :346@N within the sequence.
> RelaxWarning: Cannot find the spin :358@N within the sequence.
> RelaxWarning: Cannot find the spin :361@N within the sequence.
> RelaxWarning: Proton and heteronucleus names do not match, skipping the 
> data ['SS358N-HN', '111.682', '6.885', '52678'].
>
> relax> relax_fit.relax_time(time=0.15840000000000001, 
> spectrum_id='T2_ncyc9b_ave')
>
> relax> spectrum.read_intensities(file='T2_ncyc11_ave.list', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/curve_fitting', 
> spectrum_id='T2_ncyc11_ave', heteronuc='N', proton='HN', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/curve_fitting/T2_ncyc11_ave.list'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
> RelaxWarning: Cannot find the spin :332@N within the sequence.
> RelaxWarning: Cannot find the spin :345@N within the sequence.
> RelaxWarning: Cannot find the spin :346@N within the sequence.
> RelaxWarning: Cannot find the spin :358@N within the sequence.
> RelaxWarning: Cannot find the spin :361@N within the sequence.
> RelaxWarning: Proton and heteronucleus names do not match, skipping the 
> data ['SS358N-HN', '111.682', '6.885', '26208'].
>
> relax> relax_fit.relax_time(time=0.19359999999999999, 
> spectrum_id='T2_ncyc11_ave')
>
> relax> spectrum.read_intensities(file='T2_ncyc11b_ave.list', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/curve_fitting', 
> spectrum_id='T2_ncyc11b_ave', heteronuc='N', proton='HN', int_col=None, 
> int_method='height', spin_id_col=None, mol_name_col=None, res_num_col=None, 
> res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None, 
> spin_id=None, ncproc=None)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/curve_fitting/T2_ncyc11b_ave.list'
>  for reading.
> Sparky formatted data file.
>
> Number of header lines found: 2
> RelaxWarning: Cannot find the spin :332@N within the sequence.
> RelaxWarning: Cannot find the spin :345@N within the sequence.
> RelaxWarning: Cannot find the spin :346@N within the sequence.
> RelaxWarning: Cannot find the spin :358@N within the sequence.
> RelaxWarning: Proton and heteronucleus names do not match, skipping the 
> data ['SS346N-HN', '112.678', '6.838', '437'].
>
> relax> relax_fit.relax_time(time=0.19359999999999999, 
> spectrum_id='T2_ncyc11b_ave')
>
> relax> spectrum.replicated(spectrum_ids=['T2_ncyc1_ave', 'T2_ncyc1b_ave'])
>
> relax> spectrum.replicated(spectrum_ids=['T2_ncyc4_ave', 'T2_ncyc4b_ave'])
>
> relax> spectrum.replicated(spectrum_ids=['T2_ncyc9_ave', 'T2_ncyc9b_ave'])
>
> relax> spectrum.replicated(spectrum_ids=['T2_ncyc11_ave', 'T2_ncyc11b_ave'])
>
> relax> spectrum.error_analysis()
> Intensity measure:  Peak heights.
> Replicated spectra:  Yes.
> All spectra replicated:  No.
>
> Replicated spectra:  ['T2_ncyc1_ave', 'T2_ncyc1b_ave']
> Standard deviation:  6703.41112793
>
> Replicated spectra:  ['T2_ncyc4_ave', 'T2_ncyc4b_ave']
> Standard deviation:  11887.7815424
>
> Replicated spectra:  ['T2_ncyc9_ave', 'T2_ncyc9b_ave']
> Standard deviation:  9806.99430572
>
> Replicated spectra:  ['T2_ncyc11_ave', 'T2_ncyc11b_ave']
> Standard deviation:  11360.7148928
>
> Variance averaging over all spectra.
> Standard deviation for all spins:  10142.707367087694
>
> relax> deselect.read(file='unresolved', 
> dir='/sw/lib/relax-py26/test_suite/shared_data/curve_fitting', 
> spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=None, 
> spin_num_col=None, spin_name_col=None, sep=None, spin_id=None, 
> boolean='AND', change_all=False)
> Opening the file 
> '/sw/lib/relax-py26/test_suite/shared_data/curve_fitting/unresolved' for 
> reading.
> RelaxWarning: Cannot find the spin :332 within the sequence.
> RelaxWarning: Cannot find the spin :345 within the sequence.
> RelaxWarning: Cannot find the spin :346 within the sequence.
> RelaxWarning: Cannot find the spin :358 within the sequence.
> RelaxWarning: Cannot find the spin :361 within the sequence.
>
> relax> relax_fit.select_model(model='exp')
> Two parameter exponential fit.
>
> relax> grid_search(lower=None, upper=None, inc=11, constraints=True, 
> verbosity=1)
>
>
> Over-fit spin deselection.
>
> RelaxWarning: The spin ':1&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':2&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':9&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':10&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':13&:TYR@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':14&:ARG@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':15&:ARG@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':16&:ASN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':17&:VAL@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':18&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':19&:ILE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':20&:CYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':21&:LEU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':22&:MET@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':23&:ASN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':24&:ASN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':25&:ASP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':26&:LYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':27&:LYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':28&:ILE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':29&:PHE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':30&:ALA@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':31&:ALA@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':32&:SER@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':33&:ARG@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':34&:LEU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':35&:ASP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':36&:ILE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':37&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':38&:ASP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':39&:ALA@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':40&:TRP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':41&:GLN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':42&:MET@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':43&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':44&:GLN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':45&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':46&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':47&:ILE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':48&:ASP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':49&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':50&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':51&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':52&:ASP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':53&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':54&:ARG@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':55&:ASN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':56&:ALA@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':57&:ALA@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':58&:ILE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':59&:ARG@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':60&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':61&:LEU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':62&:ARG@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':63&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':64&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':65&:THR@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':66&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':67&:VAL@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':68&:THR@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':69&:SER@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':70&:ALA@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':71&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':72&:VAL@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':73&:ILE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':74&:ALA@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':75&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':76&:VAL@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':77&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':78&:TYR@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':79&:TRP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':80&:LEU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':81&:THR@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':82&:TYR@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':83&:ASP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':84&:PHE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':85&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':86&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':87&:LYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':88&:VAL@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':89&:ARG@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':90&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':91&:LYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':92&:LEU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':93&:ASN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':94&:ILE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':95&:GLN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':96&:TRP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':97&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':98&:SER@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':99&:ASP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':100&:TRP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':101&:LYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':102&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':103&:GLN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':104&:ALA@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':105&:GLN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':106&:LYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':107&:TRP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':108&:PHE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':109&:LEU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':110&:PHE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':111&:LYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':112&:PHE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':113&:THR@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':114&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':115&:GLN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':116&:ASP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':117&:GLN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':118&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':119&:ILE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':120&:ASN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':121&:LEU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':122&:LEU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':123&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':124&:ASP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':125&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':126&:SER@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':127&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':128&:LYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':129&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':130&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':131&:PHE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':132&:GLY@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':133&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':134&:TRP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':135&:SER@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':136&:TRP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':137&:VAL@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':138&:THR@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':139&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':140&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':141&:GLN@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':142&:LEU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':143&:ILE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':144&:ASP@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':145&:LEU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':146&:THR@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':147&:VAL@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':148&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':149&:PHE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':150&:LYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':151&:LYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':152&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':153&:VAL@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':154&:TYR@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':155&:LYS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':156&:GLU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':157&:VAL@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':158&:LEU@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':159&:SER@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':160&:VAL@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':161&:PHE@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':162&:ALA@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':163&:PRO@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':164&:HIS@N' has been deselected because of missing 
> intensity data.
> RelaxWarning: The spin ':165&:LEU@N' has been deselected because of missing 
> intensity data.
>
>
> Fitting to spin ':4&:GLY@N'
> ~~~~~~~~~~~~~~~~~~~~~~~~~~
> Traceback (most recent call last):
>  File "/sw/lib/relax-py26/test_suite/system_tests/relax_fit.py", line 92, 
> in test_curve_fitting
>    self.interpreter.run(script_file=sys.path[-1] + 
> sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_fit.py')
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 295, in run
>    return run_script(intro=self.__intro_string, local=locals(), 
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 541, in run_script
>    return console.interact(intro, local, script_file, quit, 
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/sw/lib/relax-py26/prompt/interpreter.py", line 437, in 
> interact_script
>    exec(compile(open(script_file).read(), script_file, 'exec'), local)
>  File "/sw/lib/relax-py26/test_suite/system_tests/scripts/relax_fit.py", 
> line 72, in <module>
>    grid_search(inc=11)
>  File "/sw/lib/relax-py26/prompt/minimisation.py", line 106, in grid_search
>    minimise.grid_search(lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity)
>  File "/sw/lib/relax-py26/generic_fns/minimise.py", line 108, in grid_search
>    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints, 
> verbosity=verbosity)
>  File "/sw/lib/relax-py26/specific_fns/relax_fit.py", line 658, in 
> grid_search
>    self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc, 
> constraints=constraints, verbosity=verbosity, sim_index=sim_index)
>  File "/sw/lib/relax-py26/specific_fns/relax_fit.py", line 775, in minimise
>    results = grid(func=func, args=(), num_incs=inc, lower=lower, 
> upper=upper, A=A, b=b, verbosity=verbosity)
> TypeError: grid() got an unexpected keyword argument 'num_incs'
>
> ----------------------------------------------------------------------
> Ran 115 tests in 84.061s
>
> FAILED (errors=14)
>
>
>
>
> ##############
> # Unit tests #
> ##############
>
>
> testing units...
> ----------------
>
> /sw/lib/relax-py26/test_suite/unit_tests
> ...........................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................
> ----------------------------------------------------------------------
> Ran 1195 tests in 9.685s
>
> OK
>
>
>
>
> ###################################
> # Summary of the relax test suite #
> ###################################
>
>    System/functional tests 
> ............................................................. [ Failed ]
>    Unit tests 
> .......................................................................... 
> [ OK ]
>    Synopsis 
> ............................................................................
>  [ Failed ]
> [MacPro:~] howarth% relax --info
>
>
>
>                                     relax repository checkout
>
>                              Molecular dynamics by NMR data analysis
>
>                             Copyright (C) 2001-2006 Edward d'Auvergne
>                         Copyright (C) 2006-2010 the relax development team
>
> This is free software which you are welcome to modify and redistribute 
> under the conditions of the
> GNU General Public License (GPL).  This program, including all modules, is 
> licensed under the GPL
> and comes with absolutely no warranty.  For details type 'GPL' within the 
> relax prompt.
>
> Assistance in using the relax prompt and scripting interface can be 
> accessed by typing 'help' within
> the prompt.
>
> Hardware information:
>    Machine:                 x86_64
>    Processor:               i386
>
> System information:
>    System:                  Darwin
>    Release:                 10.3.0
>    Version:                 Darwin Kernel Version 10.3.0: Wed Feb 10 
> 20:51:50 PST 2010; root:xnu-1504.3.11~2/RELEASE_X86_64
>    Distribution:
>    Full platform string:    Darwin-10.3.0-x86_64-i386-64bit
>
> Software information:
>    Architecture:            64bit
>    Python version:          2.6.4
>    Python branch:           tags/r264
>    Python build:            r264:75706, Feb 21 2010 13:07:05
>    Python compiler:         GCC 4.2.1 (Apple Inc. build 5646) (dot 1)
>    Python implementation:   CPython
>    Python revision:         75706
>    Numpy version:           1.3.0
>    Libc version:
>
> Python packages (most are optional):
>
> Package              Installed       Version         Path
> minfx                True            Unknown         
> /sw/lib/python2.6/site-packages/minfx
> bmrblib              False
> numpy                True            1.3.0           
> /sw/lib/python2.6/site-packages/numpy
> ScientificPython     True            2.8             
> /sw/lib/python2.6/site-packages/Scientific
> wxPython             False
> mpi4py               False
> epydoc               False
> optparse             True            1.5.3           
> /sw/lib/python2.6/optparse.pyc
> Numeric              True            24.2            
> /sw/lib/python2.6/site-packages/Numeric/Numeric.pyc
> readline             True                            
> /sw/lib/python2.6/lib-dynload/readline.so
> profile              True                            
> /sw/lib/python2.6/profile.pyc
> bz2                  True                            
> /sw/lib/python2.6/lib-dynload/bz2.so
> gzip                 True                            
> /sw/lib/python2.6/gzip.pyc
> os.devnull           True                            
> /sw/lib/python2.6/os.pyc
>
> Compiled relax C modules:
>    Relaxation curve fitting: True