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: chris.a.brosey@xxxxxxxxxxxxxx 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> _______________________________________________ Message sent via/by Gna! http://gna.org/