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.
Instructions not filled in by author. Author knows what to do. Everybody else should avoid this repo.
The following unofficial repositories are provided as-is by owner of this project. Contact the owner directly for bugs or issues (IE: not bugzilla).
|EPEL 6||i386 (0)*, x86_64 (0)*||EPEL 6 (84 downloads)|
* Total number of packages downloaded in the last seven days.
External Repository List
The following repositories are accessible during builds