Subject: New Release: MOLEKEL 3.0

From: Stefan Portmann <[email-masked]>
Date: Thu, 26 Nov 1998 10:47:40 +0100

Hello

I'd like to announce a new release of the interactive molecular graphics
program MOLEKEL 3.0.

The program is capable of displaying isosurfaces and molecular orbitals,
animate and display frequencies...
It reads the output of several electronic structure calculation programs
as
GAUSSIAN94, GAMESS US, ADF2.3 ...
as well as PDB, xyz and free format for coordinates.
It animates structure optimizations, and trajectory files of CHARMM.

Improvements to previous versions are basically bug fixes, updates of
the several output reading parsers and some new features like displaying
of vibrational modes as arrows.

MOLEKEL is entirely written in ANSI-C and uses the Graphics Library (GL)
of Silicon Graphics.
It runs on any SGI workstation running IRIX 6.x.

For further information and free download of the executable please check

http://www.scsc.ethz.ch/~portmann/molekel

Best Regards

-- 
Dr. Stefan Portmann
CSCS/SCSC-ETHZ
Swiss Center for Scientific Computing
Computational Chemistry
ETH-Zentrum, RZ
Clausiusstrasse 59
CH-8092 Zurich 
Switzerland

Phone: +41 (0) 1 632 57 82
Fax:   +41 (0) 1 632 11 04
e-mail: [email-masked]