Re: AVS interface to ab-initio packages?

["DR. DOUGLAS A. SMITH, UNIVERSITY OF TOLEDO" <DSMITH ^at^ uoft02.utoledo.edu>]

 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.
 Doug
 Douglas A. Smith
 Assistant Professor
 Department of Chemistry
  and member,
 Center for Drug Design and Development
 The University of Toledo
 Toledo, OH  43606-3390
 voice    419-537-2116
 fax      419-537-4033
 email    dsmith ^at^ uoft02.utoledo.edu