Subject: Conformer generator for MOPAC

From: "Hr Dr. S. Shapiro" <[email-masked]>
Date: Mon, 15 May 1995 12:45:56 +0100 (MET)

Dear Colleagues;

     Is anyone aware of a conformer generating programme that can be inter-
faced with MOPAC 6.0 or MOPAC7 (or possibly MOPAC 93)?  The programme I seek
should be able to rotate designated bonds in a molecule, systematically
(fixed rotational angle) and/or (preferably) using a Monte Carlo stochastic
procedure, to generate an ensemble of molecules plus their Z-matrices (or
some other coordinate file format that can be readily converted to a Z-
matrix); I would then wish to feed the resultant Z-matrices one at a time
into MOPAC in order to obtain heats of formation and other information.

     Thanks in advance to all responders.

Sincerely,

(Dr.) S. Shapiro
Institut fuer orale Mikrbiologie und allgemeine Immunologie
Zentrum fuer Zahn-, Mund- und Kieferheilkunde der Universitaet Zuerich
Plattenstrasse 11
Postfach
CH-8028 Zuerich 7
Switzerland

Internet: [email-masked]
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