Feature Requests item #2946138, was opened at 2010-02-04 14:15
Message generated for change (Comment added) made by hansonr
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Category: None
Group: None
>Status: Closed
Priority: 5
Private: No
Submitted By: Nobody/Anonymous (nobody)
Assigned to: Nobody/Anonymous (nobody)
Summary: configuration inversion of a single atom
Initial Comment:
A script command that would invert the configuration of a single atom based on
an atom expression.
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>Comment By: Bob Hanson (hansonr)
Date: 2010-03-25 23:22
Message:
version=11.9.37_dev
# new feature: invertSelected STEREO {center}
{twoConnectedAtomsNotToInvert}
Does a stereochemical inversion at the given center. (That is, does a
rotation of 180 degrees of all branches connected to the center but not
containing {twoConnectedAtomsNotToInvert} about an axis through {center}
and bisecting {twoConnectedAtoms})
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You can respond by visiting:
https://sourceforge.net/tracker/?func=detail&atid=379136&aid=2946138&group_id=23629
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