From bonvoisi:~at~:cemes.cemes.fr  Wed Dec 21 08:27:36 1994
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From: bonvoisi /at\cemes.cemes.fr (Bonvoisin Jacques)
Message-Id: <9412211320.AA14815 ^at^ cemes.cemes.fr>
Subject: Molecular Orbital
To: chemistry- at -ccl.net (CCL Computational Chemistry)
Date: Wed, 21 Dec 94 14:20:32 EST
Cc: bonvoisi ^%at%^ cemes.cict.fr (Jacques Bonvoisin)
X-Mailer: ELM [version 2.3 PL11]


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                                         |
|       CNRS/CEMES-LOE           Tel  :  +33 62 25 78 52         |
|     29 , rue Jeanne Marvig     Fax  :  +33 62 25 79 99         |
|     F-31055 Toulouse Cedex     Email: bonvoisi \\at// cemes.fr        |
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