Hi there,
I use sometimes antechamber with gasteiger just to try to guess what
would be the net charge (usual, expected) of a small molecule, but
this fails or give the wrong value sometimes.
What I would like to know is if there's a method that would be more
reliable or at least an alternative to cross check against
antechamber/gasteiger.
Many thanks in advance.
Alan
--
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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Received on Mon Jul 06 2009 - 11:00:05 PDT
