[bug #8997] bug in palmer.py stage 2 -- January 08, 2008 - 06:17

Follow-up Comment #2, bug #8997 (project relax):

Hi

I encountered the same problem with the 1.2 line (subversion repository
version r4475).

I used ModelFree 4.20 with data recorded at one magnetic field for a protein
with no 3D structure (no PDB loaded).

It worked fine for the 3 stages without monte carlo simulations ('sims=0').
However, when doing monte carlo simulations ('sims=500'), it crashes at the
beginning of stage 2.

Here is the error message :

==============================

relax> nuclei(heteronuc='N')

relax> state.load(file='stage1.save', dir=None)
Opening the file 'stage1.save.bz2' for reading.


Loading all the Modelfree 4 data.

relax> palmer.extract(run='m1', dir=None)
Traceback (most recent call last):
  File "/home/semor/packages/relax-1.2/relax", line 454, in ?
    Relax()
  File "/home/semor/packages/relax-1.2/relax", line 166, in __init__
    self.interpreter.run()
  File "/home/semor/packages/relax-1.2/prompt/interpreter.py", line 216, in
run
    run_script(intro=self.relax.intro_string, local=self.local,
script_file=self.relax.script_file, quit=1)
  File "/home/semor/packages/relax-1.2/prompt/interpreter.py", line 391, in
run_script
    console.interact(intro, local, script_file, quit)
  File "/home/semor/packages/relax-1.2/prompt/interpreter.py", line 343, in
interact_script
    execfile(script_file, local)
  File "./palmer_2.py", line 129, in ?
    exec_stage_2(runs)
  File "./palmer_2.py", line 69, in exec_stage_2
    palmer.extract(run=name)
  File "/home/semor/packages/relax-1.2/prompt/palmer.py", line 263, in
extract
    self.__relax__.generic.palmer.extract(run=run, dir=dir)
  File "/home/semor/packages/relax-1.2/generic_fns/palmer.py", line 578, in
extract
    data.chi2 = float(row[1])
IndexError: list index out of range

==============================


(file #3555, file #3556, file #3557)
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Additional Item Attachment:

File name: palmer_1.py                    Size:3 KB
File name: m1.tar.bz2                     Size:141 KB
File name: palmer_2.py                    Size:3 KB


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