Feature Requests item #3241656, was opened at 2011-03-24 20:19
Message generated for change (Tracker Item Submitted) made by nobody
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Category: Commands / Extensions
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Nobody/Anonymous (nobody)
Assigned to: Nobody/Anonymous (nobody)
Summary: Center of Mass
Initial Comment:
It would be very useful to have an option to move the xyz origin (0,0,0) to the Center of Mass (based on atomic weights) of the molecule. Also makes it easier to check the xyz output for accuracy and to align molecules.
You can respond by visiting:
https://sourceforge.net/tracker/?func=detail&atid=835080&aid=3241656&group_id=165310