Subject: Visualize Molecule Viewer; render molecules, surfaces, calculate energies, and geometry optimizations

From: "Jason L. Douglas" <[email-masked]>
Date: Wed, 18 Aug 1999 08:37:07 -0500

I have just released the first major version of Visualize, a free molecule
viewer (source code is also available for free) for Win95/98/NT which can
open and view PDB  and DAS (its own binary, proprietary format) files, build
new molecules (using several organic chem sub-units) and proteins (from
sequence information), and display these molecules in beautiful 3D (like
RasMol or MSI's WebLab Viewer). It can also calculate a wide range of
surfaces (electron density contours, electrostatic potential contours,
Connolly, fused VDW spheres, full density plots) using RHF wavefunctions,
and then map EP or density data to these surfaces using several various
color spectrums. It also calculates energies (MNDO, PM3, AM1, RHF, ROHF,
UHF, standard force field, and many more), Moller-Plesset 2nd Order and GUGA
CI corrections, and solvent energies (PCM, SCRF, and Effective Fragment
Potential). It can perform Monte Carlo simulations and geometry
optimizations using analytic gradients of the ab initio methods. The
graphics system was built using the ScientificGL API. QM calculations were
implemented through a PC-GAMESS interface. This is an excellent program for
both hobbyists who are looking for a cheap and easy way to explore molecular
modeling, or for the professional looking to add to his arsenal-Visualize
also has one of the best surfacing systems available for free. For more
information and to download Visualize, go to:
http://www.compbio.net/downloads/visualize/index.html