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
first time doing model free