Subject: CCL: Molecular orbital visualization

From: "Nicolas Ferre'" <ferre(at)unisi.it>
Date: Wed, 21 May 2003 11:59:34 +0200

Dear all,

I'm looking for a unix program able to visualize (in 3D) molecular
orbitals according to the following requirements:

1) handling large molecular systems
2) zooming on a subset of atoms
3) discarding a subset of atoms

I don't need any powerful graphics stuff (OpenGL), this is only in order
to setup QM/MM calculations using CASSCF for the QM part.

Unfortunately, even if Molden has a zooming capability while displaying
3D MOs, the result is very ugly (at least on my ibm box) and
meaningless.

Thanks.

Nicolas

-- 
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Nicolas FERRE' (PhD)
				 phone/fax : +39-0577-234278
Dipartimento di Chimica
Universita` di Siena             mailto:ferre*at*unisi.it
via Aldo Moro
53100 SIENA (Italia)             http://ccmaol1.chim.unisi.it/
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