Re: AVS interface to ab-initio packages?
- From: "DR. DOUGLAS A. SMITH, UNIVERSITY OF TOLEDO" <DSMITH ^at^
- Subject: Re: AVS interface to ab-initio packages?
- Date: Wed, 24 Nov 1993 10:26:37 -0500 (EST)
The AVS Chemistry Viewer, currently sold by Molecular Simulations, Inc.
(but this will change within a week or so -- keep your eyes open for an
announcement) is designed to connect quantum mechanical programs with
visualization. Currently the Viewer will read files from G90, G92, MOPAC
(and, by default AMPAC), Molfiles, and BGF files (the biograf format).
It will also write input files for these, allow users to sketch molecules
or read them in (PDB format is also supported), manipulate them, etc. The
program also reads the output files from these programs and will allow
you to examine densities, orbitals, surfaces, volumes, and much more.
After the announcement (see above), the AVS Chemistry Viewer will be
expanded. In the near future, look for it to read output from CADPAK,
GAMESS, Spartan, G88, AMPAC 4.5 and more.
Douglas A. Smith
Department of Chemistry
Center for Drug Design and Development
The University of Toledo
Toledo, OH 43606-3390
email dsmith ^at^ uoft02.utoledo.edu