- Name: ghemical
- Version: 1.00
- Release: 2mdk
- Epoch:
- Group: Sciences/Chemistry
- License: GPL
- Url: http://www.uku.fi/~thassine/ghemical/
- Summary: Molecular mechanics and quantum mechanics frontend for GNOME.
- Architecture: ppc
- Size: 6424691
- Distribution: Mandrake Linux
- Vendor: MandrakeSoft
- Packager: Olivier Thauvin <thauvin@aerov.jussieu.fr>
Description:
Ghemical is a computational chemistry software package released under the
GNU GPL.
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.
- OptFlags: -O2 -fsigned-char -frename-registers -mcpu=750 -mtune=7450 -pipe
- Cookie: bi.mandrakesoft.com 1044221439
- Buildhost: orion.nanardon
Sources packages:
Other version of this rpm: