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SVN archive Commit Log


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
[r10725] by bugman

Module docstring changes. This is no longer a script!

2010-02-18 13:12:52 Tree
[r10724] by bugman

Added a copyright notice to the stereochem_analysis auto-analysis.

2010-02-18 13:12:28 Tree
[r10723] by bugman

Added a copyright notice to the stereochem_analysis.py sample script.

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
auto-analysis, and the actual configuration file turned into the real script.

2010-02-18 12:51:40 Tree
[r10717] by bugman

Modified the _auto_analyses.test___init__ module for the auto_analyses package.

2010-02-18 12:39:02 Tree
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