barbara.truitt at case.edu
Fri Aug 29 08:11:03 PDT 2008
I am trying to assign charges to a compound that contains a sulfone
group. The charge assignment depends upon how I name the atoms. The
atom assignment for the oxygens that are part of the sulfone group
and the sulfur itself vary depending upon how they are named. How
should I name them so that they are handled correctly?
PS - I receive the Chimera list emails, but my outgoing email address
apparently doesn't match the one that I used to sign up for the list.
Is there a way to fix that?
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