Hi,
I wanted to use relax to do some model-free analysis, unfortunately I do
not have data from multiple fields. Can I still use relax for model
free analysis? In most of the scripts I read it says data from multiple
fields is required and the gui version won't even let me run the script
without data from multiple fields. I figured I would still give it a
shot so I generated R1, R2 and steady state NOE output files using the
relax gui and then modified the model-free.py script by commenting out
the lines for the second field strength. The script runs without
problems from the prompt and it generates a results.bz2 file. I tried
to run the final_data_extraction.py script but I get this error
relax> pipe.create(pipe_name='Data_extraction', pipe_type='mf')
relax> results.read(file='results', dir=None)
Opening the file 'results.bz2' for reading.
Traceback (most recent call last):
File "/sw/bin/relax", line 381, in <module>
Relax()
File "/sw/bin/relax", line 117, in __init__
self.interpreter.run(self.script_file)
File "/sw/lib/relax-py27/prompt/interpreter.py", line 294, 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-py27/prompt/interpreter.py", line 597, 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-py27/prompt/interpreter.py", line 483, in
interact_script
exec_script(script_file, local)
File "/sw/lib/relax-py27/prompt/interpreter.py", line 376, in exec_script
runpy.run_module(module, globals)
File "/sw/lib/python2.7/runpy.py", line 180, in run_module
fname, loader, pkg_name)
File "/sw/lib/python2.7/runpy.py", line 72, in _run_code
exec code in run_globals
File "/Users/Joe/NMR/relax/m4/final_data_extraction.py", line 36, in
<module>
spin_no = spin_id[spin_id.index(':')+1:spin_id.index('&')]
ValueError: substring not found
I don't know if my initial model-free.py script worked. If it did, I
would like to look at the data. If relax can't analyze single field
data, are there any other programs that you would recommend. Any help
would be appreciated.
Thanks,
Fernando
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