Hello,
I have discovered a bug in antechamber.
Antechamber produces an incorrect sulfur atom type with the "-at
sybyl" option. The sybyl atom type ought to be 'S.3', but a lower case
's' is produced instead ('s.3').
Here is a table of correct atom types: http://tripos.com/mol2/atom_types.html
Thank for taking a look at this,
Matt Walsh
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Received on Wed Sep 02 2009 - 23:06:49 PDT
