Subject: Re: CCL:MEP overlap

From: "David Wild" <[email-masked]>
Date: Wed, 6 Aug 1997 11:53:11 +0100

Hi

> Does anyone know a program that can align molecules by overlapping their
> MEP's respectively their steric volumes? Many thanks in advance. 

I have written a program called FBSS that will align molecules by 
their MEP, electron density (i.e. steric), and hydrophobic (MLP) 
fields. It takes and produces SYBYL MOL files, and uses a GA to do 
the alignment. Some sketchy details are on my web page (see below). 
Please contact me if you're interested.

Cheers

David Wild

__________________________________________________

Dr. David Wild, Computational Chemistry Group,
Department of Information Studies, University of
Sheffield, Sheffield S10 2TN, U.K.

Tel +44-(0)114 22 22669, Fax +44-(0)114 278 0300
Email [email-masked] 
http://panizzi.shef.ac.uk/cisrg/davewild/davewild.html