GUI for GAMESS
- From: "Jan H. Jensen"
- Subject: GUI for GAMESS
- Date: Fri, 20 Aug 2004 15:23:34 -0500
The University of Iowa Quantum chemistry group has made several
improvements to the Ghemical program
http://www.uku.fi/~thassine/ghemical/, many of which may be
particular interest to the users of the quantum chemistry program
Software can be downloaded from http://www.uiowa.edu/~ghemical/ and include:
1. A Windows version of Ghemical (using Cygwin).
Ghemical already works on linux and MacOS X machines, and links to
these versions can also be found on the web page.
2. Windows and Linux versions of Ghemical-GMS 1.01 (a MacOSX version
should be available soon).
Ghemical-GMS contains an extra set of menus for creating GAMESS input files.
The linux version also allows for the submission and queuing of
GAMESS jobs using the new GTK-Gamess program.
3. A linux version of GTK-Gamess 1.0 (Windows and MacOSX versions
should be available soon). GTK-GAMESS is a program for the
submission and queuing of GAMESS jobs. It can be used independently
Ghemical can extract the geometry from GAMESS output files, but
cannot yet display plots of MOs, density, or vibrational modes. We
hope to add these capabilities in future releases. We also hope that
Ghemical and Ghemical-GMS will merge in future releases.
All programs are open source C++ programs. If you find and fix bugs
in these programs we would appreciate if you would share them.
Jan H. Jensen Associate Professor
Department of Chemistry jan-jensen!at!uiowa.edu
University of Iowa Phone:(319) 335-1108
Iowa City, IA 52242 FAX: (319) 335-1270
http://www.uiowa.edu/~mbiophys (Molecular Biophysics #*at*#