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Ghemical - Molecular modelling application

Ghemical is a molecular modelling software package with a GUI (one for the GLUT library, and another for GNOME), and some nice 3D-visualization tools. It supports methods based on both molecular mechanics and quantum mechanics (using MOPAC7, and MPQC for QM). The geometry optimization (for MM and QM) and molecular dynamics (for MM) algorithms are included.

Obtaining

Web pagehttp://www.bioinformatics.org/ghemical http://www.uku.fi/~thassine/ghemical/
Source tarball http://www.uku.fi/~thassine/ghemical/download/ghemical-1.00.tgz
Source informationhttp://www.uku.fi/~thassine/ghemical/download.html
Version 1.00 (stable) released on 2002-12-04
Version 1.50 (devel) released on 2002-12-04
Licensed under The GNU General Public License, Version 2.
This is not a GNU package.

Documentation
Developer's manual available in HTML format from http://www.uku.fi/~thassine/ghemical/docs_stable/html/
Support contacts

Developer List<ghemical-devel@bioinformatics.org> http://bioinformatics.org/mailman/listinfo/ghemical-devel
Bug Databasehttp://bioinformatics.org/bugs/?group_id=41

Project contacts

Maintainers
Developers

Related information

Source repositoryhttp://bioinformatics.org/cgi-bin/cvsweb.cgi/ghemical/
InterfacesX Window System
ProgramsMOPAC7 (public domain), MPQC (GNU GPL)
Source languagesC++
Use requirementsGNOME
Related programschemtool, XDrawChem, Bioinformatics Template Library, E-CELL Simulation Environment, GROMACS

Entry information

License verified byJanet Casey <jcasey@gnu.org> on 2002-02-22
Entry compiled byJanet Casey <jcasey@gnu.org>

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