Commit | Date | |
---|---|---|
[r10726]
by
bugman
Removed some unused code and comments at the top of the ex-script. A config file is no longer read. |
2010-02-18 13:13:49 | Tree |
2010-02-18 13:12:52 | Tree | |
2010-02-18 13:12:28 | Tree | |
2010-02-18 13:11:26 | Tree | |
[r10722]
by
bugman
Modified the script so that __init__ sets up the class and run() executes the analysis. This is not implemented on the other side yet. |
2010-02-18 13:10:07 | Tree |
[r10721]
by
bugman
Converted stereochem_analysis.py into a true relax script. This now calls the auto_analyses.stereochem_analysi code. |
2010-02-18 13:04:02 | Tree |
[r10720]
by
bugman
Renamed the stereochem_analysis_config.py file to the stereochem_analysis.py relax script. |
2010-02-18 12:54:12 | Tree |
[r10719]
by
bugman
Added the relative stereochemistry analysis configuration file. This will be converted into a relax script. |
2010-02-18 12:53:39 | Tree |
[r10718]
by
bugman
Added to the auto_analyses the script for determining relative stereochemistry of organic molecules. This code corresponds to a paper in press. The script will need to be modified to function as an |
2010-02-18 12:51:40 | Tree |
2010-02-18 12:39:02 | Tree |