URL:
<http://gna.org/bugs/?14428>
Summary: palmer.py problem wihen spins have no data
Project: relax
Submitted by: None
Submitted on: Friday 10/02/2009 at 20:04 CEST
Category: relax's source code
Severity: 4 - Important
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name:
Originator Email: pierre-yves.sav...@bcm.ulaval.ca
Open/Closed: Open
Discussion Lock: Any
Release: Repository: 1.3 line
Operating System: GNU/Linux
_______________________________________________________
Details:
Hi,
I think I found a bug in the palmer.py script. When running stage 2, the
program stops (with error) when it tries to extract m3 (relax>
palmer.extract(dir='m3')). The problem happens if the sequence file contains
residues for which there are no data. It works fine if the sequence file
contains only residues with data.
Here is the error message:
Traceback (most recent call last):
File "/usr/local/packages/relax-1.3/relax", line 420, in <module>
Relax()
File "/usr/local/packages/relax-1.3/relax", line 128, in __init__
self.interpreter.run(self.script_file)
File "/usr/local/packages/relax-1.3/prompt/interpreter.py", line 276, in
run
return run_script(intro=self.__intro_string, local=self.local,
script_file=script_file, quit=self.__quit_flag,
show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
File "/usr/local/packages/relax-1.3/prompt/interpreter.py", line 545, in
run_script
return console.interact(intro, local, script_file, quit,
show_script=show_script, raise_relax_error=raise_relax_error)
File "/usr/local/packages/relax-1.3/prompt/interpreter.py", line 441, in
interact_script
exec(compile(open(script_file).read(), script_file, 'exec'), local)
File "palmer-stage2.py", line 154, in <module>
exec_stage_2(pipes)
File "palmer-stage2.py", line 104, in exec_stage_2
palmer.extract(dir=name)
File "/usr/local/packages/relax-1.3/prompt/palmer.py", line 198, in
extract
palmer.extract(dir=dir)
File "/usr/local/packages/relax-1.3/generic_fns/palmer.py", line 692, in
extract
spin.rex = spin.rex / (2.0 * pi * spin.frq[0])**2
IndexError: list index out of range
Thank you,
Pierre-Yves
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?14428>
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