- Name: ghemical
- Version: 0.90
- Release: 1
- Epoch:
- Group: X11/Applications/Science
- License: GPL v2
- Url: http://www.uku.fi/~thassine/ghemical/
- Summary: Ghemical - The MM and QM calculations frontend
- Architecture: i386
- Size: 5063744
- Distribution: PLD 1.0 (Ra)
- Vendor: PLD
- Packager: PLD bug tracking system ( http://bugs.pld.org.pl/ )
Description:
Ghemical is a computational chemistry software package released under
the GNU GPL. It 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.
- OptFlags: -O2 -march=i386
- Cookie:
- Buildhost: ep09.kernel.pl
Sources packages:
Other version of this rpm:
