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Subject: Re: CCL:MEP overlap
Date: Thu, 7 Aug 97 10:04:31 -138332
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From: cronos <qftjesus@uscmail.usc.es>
To: "Inge Muszynski" <inge.muszynski@uni-tuebingen.de>,
        <chemistry@www.ccl.net>
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>Dear CCLers,
>
>Does anyone know a program that can align molecules by overlapping their
>MEP's respectively their steric volumes? Many thanks in advance. 
>
>
>Inge Muszynski
>Pharmaceutical Institute
>University of Tuebingen
>Auf der Morgenstelle 8
>72076 Tuebingen

We have developed a program (MEPSIM) to find the maximum electrostatic 
potential similarity superimposing the MEPs and moving a molecule in 
relation to the other. You can find more information in : J. Comp-Aided. 
Mol. Design 7 (1993) 337-347 
or contact with us through Dr. Ferran Sanz at Barcelona: ferran@imim.es


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| Jesus Rodriguez Otero          | Tel   : (981) 563100 ext 14302  |    
| Depto. Quimica Fisica          | Email :  qftjesus@usc.es        |
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