mailr10718 - /1.3/auto_analyses/stereochem_analysis.py


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Posted by edward on February 18, 2010 - 13:51:
Author: bugman
Date: Thu Feb 18 13:51:40 2010
New Revision: 10718

URL: http://svn.gna.org/viewcvs/relax?rev=10718&view=rev
Log:
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.


Added:
    1.3/auto_analyses/stereochem_analysis.py

[This mail would be too long, it was shortened to contain the URLs only.]

Added: 1.3/auto_analyses/stereochem_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/auto_analyses/stereochem_analysis.py?rev=10718&view=auto




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