From Karl.F.Moschner@urlus.sprint.com  Thu Feb  9 17:38:16 1995
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Content-Identifier:  CCL:conformer ge
From: Karl.F.Moschner@urlus.sprint.com
Message-ID:  <"Thu Feb  9 14:42:42 199501*/I=F/G=Karl/S=Moschner/OU=4267EDUR/O=TMUS.URL/PRMD=LANGATE/ADMD=TELEMAIL/C=GB/"@MHS>
To: CHEMISTRY@ccl.net, ivarm@boc.ic.ee
Subject:  CCL:conformer generator for MOPAC


> please suggest me a program which takes up the given geometry (cartesian 
> or internal) and generates a lot of conformers from that for the MOPAC 
> input. It would be nice if the program works in UNIX. (FORTRAN source 
> would be excellent).
>
> Thank you!
> Dr. Ivar Martin

I have used the conformational search routines in the commercial package 
Sybyl to generate conformers and then submit the individual structures for 
single point calculations using MOPAC V6.0.  You could also use any other 
3rd party package for which they provide an interface or create your own 
using macros.  Unfortunately, they're unlikely to provide the source code.

 _______________________________________________________________________
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| Comments are those of the author and not Unilever Research U. S.      |
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| Karl F. Moschner, Ph. D.                                              | 
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| Unilever Research U. S.      e-mail: Karl.F.Moschner@urlus.sprint.com | 
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