From:	"Michael K. Gilson, M.D., Ph.D." <gilson..at..verachem.com>
Date:	Wed, 8 Sep 2004 08:59:11 -0400
Subject:	Software for rapid calculation of accurate partial charges

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VeraChem is pleased to announce the release of

 

                                Vcharge

 

a program for computing partial charges of drug-like molecules, as described
in J. Chem. Inf. Comput. Sci. 43:1982-1997, 2003.

 

           - input/output are SDfiles

           - VC/2004 charges accurately reproduce ESPs from quantum
calculations

           - protein and nucleic acid charges are close to those of CHARMM
and AMBER

           - requires only about 0.2 cpu second/molecule

           - Linux and Windows versions are available

           - inexpensive, and steeply discounted for academics

           - includes free Vdisplay program (Windows) for viewing charges

 

Try Vcharge on-line for free at www.verachem.com/Vcharge2.html!

 


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http://www.w3.org/TR/REC-html40">












VeraChem is pleased to announce the release of =


 

           =
;         
           =
Vcharge

 

a program for computing partial charges of drug-like molecules, =
as
described in J. Chem. Inf. Comput. Sci. 43:1982-1997, 2003.  =


 

           -
input/output are SDfiles

           - =
VC/2004
charges accurately reproduce ESPs from quantum =
calculations

           - =
protein
and nucleic acid charges are close to those of CHARMM and =
AMBER

           - =
requires
only about 0.2 cpu second/molecule 

           - =
Linux
and Windows versions are available

           -
inexpensive, and steeply discounted for =
academics

           - =
includes
free Vdisplay program (Windows) for viewing =
charges

 

Try Vcharge on-line for free at http://www.verachem.com/Vcharge2.html"
title=3D"http://www.verachem.com/Vcharge2.html">www.verachem.com/Vcharge2=
.html!

 







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