GUI for GAMESS



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 of particular interest to the users of the quantum chemistry program GAMESS.
 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 of Ghemical-GMS.
 
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.
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 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/~quantum
 http://www.uiowa.edu/~mbiophys (Molecular Biophysics  #*at*#
 UI)
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