Molecular Orbital
Dear Netters,
Recently I asked for programs able to draw or view Molecular Orbital
issued from MOPAC type calculations. I got several answers and thanks for
that. I wanted free and ftp'able programs. Among them, there were :
PSI88, MOLDEN, MOPLOT2, SciAn, EDMOL.
For my purpose, the best I try so far was PSI88 although there
is some problem:
- It works fine for small molecules ie with atoms numbers in the
order of 10-20, but it did not seem to work with bigger molecules ie 40-50
atoms. Does somebody know why ?
- Is there any mailing-list associated with this program ?
I am trying to test the other cited-above program to see if they do better.
Greetings. Bye.
--
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| Jacques BONVOISIN |
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