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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| Karl F. Moschner, Ph. D. |
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