Hi Ed,
I ran calculations using full_analysis.py with two data sets. After
runing the diffusion models and getting convergence for all of them I
tryed with the model=final. I got the following error messages:
Dataset 1, model=final
Traceback (most recent call last):
File "/home/perez/relax-1.2.6/relax", line 419, in ?
Relax()
File "/home/perez/relax-1.2.6/relax", line 151, in __init__
self.interpreter.run()
File "/home/perez/relax-1.2.6/prompt/interpreter.py", line 213, in run
run_script(intro=self.relax.intro_string, local=self.local,
script_file=self.relax.script_file, quit=1)
File "/home/perez/relax-1.2.6/prompt/interpreter.py", line 385, in
run_script
console.interact(intro, local, script_file, quit)
File "/home/perez/relax-1.2.6/prompt/interpreter.py", line 340, in
interact_script
execfile(script_file, local)
File "final.py", line 419, in ?
Main()
File "final.py", line 263, in __init__
self.model_selection(run='final', write_flag=0)
File "final.py", line 349, in model_selection
eliminate()
File "/home/perez/relax-1.2.6/prompt/eliminate.py", line 97, in eliminate
self.relax.generic.eliminate.eliminate(run=run, function=function,
args=args)
File "/home/perez/relax-1.2.6/generic_fns/eliminate.py", line 69, in
eliminate
names = param_names(self.run, i)
File "/home/perez/relax-1.2.6/specific_fns/model_free.py", line 1448,
in get_param_names
if not self.relax.data.res[self.run][j].model:
AttributeError: Element instance has no attribute 'model'
Dataset 2, model=final
Traceback (most recent call last):
File "/home/perez/relax-1.2.6/relax", line 419, in ?
Relax()
File "/home/perez/relax-1.2.6/relax", line 151, in __init__
self.interpreter.run()
File "/home/perez/relax-1.2.6/prompt/interpreter.py", line 213, in run
run_script(intro=self.relax.intro_string, local=self.local,
script_file=self.relax.script_file, quit=1)
File "/home/perez/relax-1.2.6/prompt/interpreter.py", line 385, in
run_script
console.interact(intro, local, script_file, quit)
File "/home/perez/relax-1.2.6/prompt/interpreter.py", line 340, in
interact_script
execfile(script_file, local)
File "final.py", line 418, in ?
Main()
File "final.py", line 274, in __init__
monte_carlo.create_data('final')
File "/home/perez/relax-1.2.6/prompt/monte_carlo.py", line 91, in
create_data
self.__relax__.generic.monte_carlo.create_data(run=run, method=method)
File "/home/perez/relax-1.2.6/generic_fns/monte_carlo.py", line 78,
in create_data
data = create_mc_data(self.run, i)
File "/home/perez/relax-1.2.6/specific_fns/model_free.py", line 639,
in create_mc_data
value = self.back_calc(run=run, index=i,
ri_label=self.relax.data.res[run][i].ri_labels[j],
frq_label=self.relax.data.res[run][i].frq_labels[self.relax.data.res[run][i].remap_table[j]],
frq=self.relax.data.res[run][i].frq[self.relax.data.res[run][i].remap_table[j]])
File "/home/perez/relax-1.2.6/specific_fns/model_free.py", line 398,
in back_calc
value = self.minimise(run=self.run, min_algor='back_calc',
min_options=(index, ri_label, frq_label, frq))
File "/home/perez/relax-1.2.6/specific_fns/model_free.py", line 2024,
in minimise
if not self.relax.data.res[self.run][i].model:
AttributeError: Element instance has no attribute 'model'
Yeah, I gave up with windows... I have only one computer with windows
and it was toooooo slow. With the Linux network it is a piece of cake to
spread the jobs, and with parallel calculation it make sense.
About the error messages they may be related with the fact that the
local-tm was the model with the lowest chi square, I do not know.
Well, knowing that this protein does not fit any diffusion tensor I used
relax to sample the reduced spectral density function. I obtained the
list containing the fitted values for J(0), J(N), J(H), and the
corresponding errors. But, in addition you provide with a list of ALL
the Montecarlo simulations. What do you suggest to do with it?
Best Regards
Daniel
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