AMBER Archive (2006)

Subject: AMBER: program to calculate net charge of a ligand for Antechamber

From: Christophe Guilbert (cguilbert_at_picasso.ucsf.edu)
Date: Mon Jul 10 2006 - 20:30:39 CDT

Hi,
Sorry for this question a little bit off topic, but I was wondering if
anyone know a free software to automaticaly calculate the net charge of
a ligand from a mol2 or pdb file. Charge I would later use with the -nc
(net charge) Antechamber option.

Thanks 

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Christophe Guilbert, Ph.D.
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UCSF, Department of Pharmaceutical Chemistry
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