Hi Edward,
I've been trying the new Relax 1.3.7, which has worked well for NOE and R1
calculations, but I'm struggling with the R2. Everything seems to work OK
until I get this...
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relax> monte_carlo.setup(number=500)
relax> monte_carlo.create_data(method='back_calc')
Traceback (most recent call last):
File "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/relax", line 348, in
<module>
Relax()
File "/home/ms4225/programs/relax-1.3.7/relax-1.3.7/relax", line 115, in
__init__
self.interpreter.run(self.script_file)
File
"/home/ms4225/programs/relax-1.3.7/relax-1.3.7/prompt/interpreter.py",
line 292, 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
"/home/ms4225/programs/relax-1.3.7/relax-1.3.7/prompt/interpreter.py",
line 590, in run_script
return console.interact(intro, local, script_file, quit,
show_script=show_script, raise_relax_error=raise_relax_error)
File
"/home/ms4225/programs/relax-1.3.7/relax-1.3.7/prompt/interpreter.py",
line 476, in interact_script
exec_script(script_file, local)
File
"/home/ms4225/programs/relax-1.3.7/relax-1.3.7/prompt/interpreter.py",
line 370, in exec_script
runpy.run_module(module, globals)
File "/usr/local/lib/python2.6/runpy.py", line 140, in run_module
fname, loader, pkg_name)
File "/usr/local/lib/python2.6/runpy.py", line 34, in _run_code
exec code in run_globals
File
"/home/ms4225/nmr_data/IGF2R/dynamics/relax/human/curve_fit/600/R2_curve_fit_height/R2_newnew.py",
line 118, in <module>
monte_carlo.create_data()
File
"/home/ms4225/programs/relax-1.3.7/relax-1.3.7/prompt/monte_carlo.py",
line 77, in create_data
monte_carlo.create_data(method=method)
File
"/home/ms4225/programs/relax-1.3.7/relax-1.3.7/generic_fns/monte_carlo.py",
line 70, in create_data
data = create_mc_data(data_index)
File
"/home/ms4225/programs/relax-1.3.7/relax-1.3.7/specific_fns/relax_fit.py",
line 501, in create_mc_data
value = self._back_calc(spin=spin, relax_time_id=id)
File
"/home/ms4225/programs/relax-1.3.7/relax-1.3.7/specific_fns/relax_fit.py",
line 193, in _back_calc
return results[keys.index(relax_time_id)]
ValueError: list.index(x): x not in list
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Is this a problem with the Analysis2.1/Sparky formatting? I'm not sure
because curve fitting seems to work with T1.
Madeleine Strickland
MCJC Group
N317, School of Chemistry, Bristol University
R2 curve fit problems.