Ghemical

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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 page	http://www.bioinformatics.org/ghemical http://www.uku.fi/~thassine/ghemical/
Source tarball	http://www.uku.fi/~thassine/ghemical/download/ghemical-1.00.tgz
Source information	http://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 Database	http://bioinformatics.org/bugs/?group_id=41

Project contacts

Maintainers	Tommi Hassinen <thassine@messi.uku.fi>
Developers	Mike Cruz Tommi Hassinen <thassine@messi.uku.fi> Ville Heikkila Geoff Hutchison Jarno Huuskonen

Related information

Source repository	http://bioinformatics.org/cgi-bin/cvsweb.cgi/ghemical/
Interfaces	X Window System
Programs	MOPAC7 (public domain), MPQC (GNU GPL)
Source languages	C++
Use requirements	GNOME
Related programs	chemtool, XDrawChem, Bioinformatics Template Library, GROMACS

Entry information

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

Categories

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Top > Science > Chemistry

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