Subject: RE: windows based orbital viewing

From: "Joslyn Kravitz" <jyudenfr$at$umich.edu>
Date: Thu, 4 Dec 2003 22:16:46 -0500

Well, there certainly are plenty of options out there for people wanting
to view orbitals:

ArgusLab 4.0 (currently in beta release) integrates well with Gaussain
98
and Gaussian 03.  You can easily view surfaces from cube files generated
with Gaussian.  ArgusLab is free for single-user academic faculty,
staff,
and students.

You can download it at  http://www.arguslab.com

MOPLOT. http://www-chem.unifr.ch/frames/facilities/moplot/moplot.html
It is a free version, but you should use pop=full in the input file.
This programe enables you to view the molecular orbitals. This can also
be downloaded for linux version also.

Molden can display molecular orbitals generated by Gaussian. However
even the windows version requires an x server.

http://www.cmbi.kun.nl/~schaft/molden/molden.html

Cygwin is free and has an x server.

WebMO is a free web-based interface to several computational chemistry
programs:  Gaussian, Mopac, Gamess, and Molpro.  The professional
version, WebMO Pro, has a windows-based molecular orbital viewer,
MOViewer, that allows you to view MO's that were calculated by any of
the supported programs.  MOViewer also displays isosurfaces,
electrostatic potentials, and electrophilic/nucleophilic frontier
surfaces.

For general information, see the WebMO homepage at
     www.webmo.net
A working demo (no download or installation required, since WebMO is
web-based) is available at
     www.webmo.net/demo
Color brochures are at
     http://www.webmo.net/download/WebMO_Brochure.pdf
     http://www.webmo.net/download/WebMOPro_Brochure.pdf

Thanks for all the advice. I went with gOpenMol:
http://www.csc.fi/gopenmol/distribute/index.phtml

Joslyn Kravitz