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.