- Name: ghemical
- Version: 2.98
- Release: 2mdv2009.1
- Epoch:
- Group: Sciences/Chemistry
- License: GPL+
- Url: http://www.uku.fi/~thassine/ghemical/
- Summary: Molecular mechanics and quantum mechanics frontend for GNOME
- Architecture: i586
- Size: 2079258
- Distribution: Mandriva Linux
- Vendor: Mandriva
- Packager: Guillaume Bedot <littletux@mandriva.org>
Description:
Ghemical is a computational chemistry application.
Ghemical is written in C++. It has a graphical user interface (in fact,
a couple of them), and it supports both quantum-mechanics (semi-empirical
and ab initio) models and molecular mechanics models (there is an experimental
Tripos 5.2-like force field for organic molecules). Also a tool for reduced
protein models is included. Geometry optimization, molecular dynamics
and a large set of visualization tools are currently available.
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