Re: error at the end of model free calc. -- November 06, 2012

Hi James,

Welcome to the relax mailing lists!  Fortunately, your problem has
already been solved.  If you find a bug or problem in relax, it is
best to first check the relax bug tracker to see if the issue has
already been encountered (see https://gna.org/bugs/?group=relax).  In
this case, the bug that you see has been reported at
https://gna.org/bugs/?20197.  If you also look at the announcement for
relax 2.1.2 (https://gna.org/forum/forum.php?forum_id=2369), you will
see that the fix for this bug is included in this release.  So you
simply have to upgrade to relax 2.1.2 and your problem will be solved.

Regards,

Edward



On 5 November 2012 14:19, James Tolchard (CHE) <J.Tolchard@xxxxxxxxx> wrote:

Hello relax users,

I haven't used relax for too long, so please excuse if this is a daft 
question. I am trying to carry out a model free calculation for my 
relaxation data at two fields. I'm pretty sure I have good T1, T2 and 
hetNOE data but at the end of my fully automated model free run, I receive 
the following error in the relax controller window:

relax> pymol.macro_write(data_type='s2', style='classic', 
colour_start_name=None, colour_start_rgb=None, colour_end_name=None, 
colour_end_rgb=None, colour_list=None, file=None, 
dir='/inet/current_USERS/hce06twu/research/AVR/MODEL_FREE_RUNS/relax_run2/final/pymol',
 force=True)
Exception raised in thread.

Traceback (most recent call last):
  File "/SOFTWARE/relax/relax-2.1.1/gui/analyses/execute.py", line 87, in 
run
    self.run_analysis()
  File "/SOFTWARE/relax/relax-2.1.1/gui/analyses/auto_model_free.py", line 
803, in run_analysis
    dauvergne_protocol.dAuvergne_protocol(pipe_name=self.data.pipe_name, 
pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir, 
diff_model=self.data.global_models, mf_models=self.data.mf_models, 
local_tm_models=self.data.local_tm_models, grid_inc=self.data.inc, 
diff_tensor_grid_inc=self.data.diff_tensor_grid_inc, 
mc_sim_num=self.data.mc_sim_num, max_iter=self.data.max_iter, 
conv_loop=self.data.conv_loop)
  File "/SOFTWARE/relax/relax-2.1.1/auto_analyses/dauvergne_protocol.py", 
line 235, in __init__
    self.execute()
  File "/SOFTWARE/relax/relax-2.1.1/auto_analyses/dauvergne_protocol.py", 
line 736, in execute
    self.write_results()
  File "/SOFTWARE/relax/relax-2.1.1/auto_analyses/dauvergne_protocol.py", 
line 899, in write_results
    self.interpreter.pymol.macro_write(data_type='s2',        dir=dir, 
force=True)
  File "/SOFTWARE/relax/relax-2.1.1/prompt/uf_objects.py", line 219, in 
__call__
    self._backend(*new_args, **uf_kargs)
  File "/SOFTWARE/relax/relax-2.1.1/generic_fns/pymol_control.py", line 
498, in macro_write
    commands = create_macro(data_type=data_type, style=style, 
colour_start=colour_start, colour_end=colour_end, colour_list=colour_list)
  File "/SOFTWARE/relax/relax-2.1.1/generic_fns/pymol_control.py", line 
352, in create_macro
    commands = macro(data_type, style, colour_start, colour_end, 
colour_list)
  File "/SOFTWARE/relax/relax-2.1.1/specific_fns/model_free/macro_base.py", 
line 502, in create_macro
    self.classic_style(data_type, colour_start, colour_end, colour_list, 
spin_id)
  File "/SOFTWARE/relax/relax-2.1.1/specific_fns/model_free/macro_base.py", 
line 91, in classic_style
    raise RelaxError("Only a single spin per residue is allowed for the 
classic macro style.")
RelaxError: RelaxError: Only a single spin per residue is allowed for the 
classic macro style.


I think the output files seem ok, but because of this error I am 
questioning if the output is inherently ok.

Many thanks,

James.
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Re: error at the end of model free calc.

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