- Name: ghemical
- Version: 1.01
- Release: 1mdk
- 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: 6775372
- Distribution: Mandrake Linux
- Vendor: MandrakeSoft
- Packager: Per Øyvind Karlsen <peroyvind@linux-mandrake.com>
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 -fomit-frame-pointer -pipe -march=i586 -mcpu=pentiumpro
- Cookie:
- Buildhost: klama.mandrake.org
Sources packages:
Other version of this rpm: