Subject: MOLEKEL: New Release

From: <[email-masked]>
Date: Mon, 8 Apr 2002 17:48:04 +0200 (MEST)

Dear Computational Chemists

CSCS (http://www.cscs.ch) is proud to announce the release of
MOLEKEL version 4.2.

Improvements compared to version 4.1 are:

- bugs fixed as far as reported to date
- automatic H-bond detection implemented. 
- color coded slices through grid data at
  any position (not just perpendicular to the axis as before) added. 
- legend of color map in texture mode added. 
- display of coordinate system added. 
- MOLDEN file format support added. 
- command line options added: reading data files on start up.

MOLEKEL is an interactive molecular graphics program to visualize molecular and
electronic structure data from a number of electronic structure program outputs 
(Gaussian, Gamess, ADF...) as well as from XYZ and PDB files.
MOLEKEL is able to render the molecular structure in different styles, display
orbitals, electron densities, map and color code properties on any surface,
display and animate vibrational normal modes, animate a sequence of coordinates
and produces great graphics...

Look and see!

More information, a precompiled binary for SGI, SUN, LINUX systems and
WINDOWS PC's and detailed documentation is available from
http://www.cscs.ch/molekel/.

Best regards

Stefan Portmann