URL:
<http://gna.org/bugs/?12582>
Summary: Problem writing/displaying full_analysis.py results
Project: relax
Submitted by: None
Submitted on: Monday 11/10/2008 at 23:00 CET
Category: relax's source code
Severity: 3 - Normal
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name: Chris Brosey
Originator Email: [EMAIL PROTECTED]
Open/Closed: Open
Discussion Lock: Any
Release: Repository: 1.3 line
Operating System: GNU/Linux
_______________________________________________________
Details:
Greetings,
I have encountered a problem running the script full_analysis.py using
v1.3.2, build 1.3 of relax (and python v2.5). I find that the script
successfully reads in data files and carries out the grid search and
minimization specified under the multi_model function for the very first
‘tm0’ model. However, it appears that there is a problem executing the
final command of the function – writing the results to an output file. The
proper directory and file are created, but the ‘results’ file remains
empty; and the script returns the error message 'IndexError: list index out
of range'.
I have attached the following:
(1) full_analysis2.py -- my modified version of full_analysis.py. The primary
changes I have made here are to file and directory names under user variables.
I have also set the script to optimize 'tm0' only. I added a spin_name_col
value for SEQ_ARGS in later troubleshooting runs, but that made no
difference.
(2)noe.500.out & r1.500.out -- the modified input files from
test_suite/shared_data/model_free/S2...Rex_0.149. I have added 'None' for
the glycine value and error for all files (the r2 is similar to r1). I have
also added a Spin_Name column with values to noe.500.out per Tyler Reddy's
suggestion.
(3) relax.log -- the log and traceback messages previously included in the
first users' e-mail.
I have been executing the script as 'python relax
sample_scripts/full_analysis2.py > relax.log'
Thank you so much for your help! I really, really appreciate it!
_______________________________________________________
File Attachments:
-------------------------------------------------------
Date: Monday 11/10/2008 at 23:00 CET Name: full_analysis2.py Size: 29kB
By: None
<http://gna.org/bugs/download.php?file_id=4998>
-------------------------------------------------------
Date: Monday 11/10/2008 at 23:00 CET Name: r1.500.out Size: 169B By: None
<http://gna.org/bugs/download.php?file_id=4999>
-------------------------------------------------------
Date: Monday 11/10/2008 at 23:00 CET Name: noe.500.out Size: 192B By:
None
<http://gna.org/bugs/download.php?file_id=5000>
-------------------------------------------------------
Date: Monday 11/10/2008 at 23:00 CET Name: relax.log Size: 40kB By: None
<http://gna.org/bugs/download.php?file_id=5001>
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?12582>
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