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

From: Christophe Guilbert <cguilbert.picasso.ucsf.edu>
Date: Mon, 10 Jul 2006 18:30:39 -0700

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 

-- 
--------------------------------------------------------------------------
Christophe Guilbert, Ph.D.
Mission Bay Genentech Hall
UCSF, Department of Pharmaceutical Chemistry
600 16th Street, Suite # S-126-D
San Francisco, CA  94143-2180 
for UPS/Fed Ex/DHL, change the zip code of 94107 for physical deliveries of package
Office      : 415-476-0707
Office fax  : 415-476-0688
Email: cguilbert.picasso.ucsf.edu
http://mondale.ucsf.edu
--------------------------------------------------------------------------
In a world without walls and fences,
who needs Windows and Gates?
        - Sun Microsystems
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jul 12 2006 - 06:07:13 PDT
Custom Search