Ghemical is a computational chemistry software package written in C++ and released under the GNU General Public License. The program has graphical user interface based on GTK+2 and supports quantum mechanical and molecular mechanic models, with geometry optimization, molecular dynamics, and a large set of visualization tools. Ghemical relies on external code to provide the quantum-mechanical calculations — MOPAC provides the semi-empirical MNDO, MINDO, AM1, and PM3 methods, and MPQC methods based on Hartree–Fock calculations.
A screenshot of Ghemical 2.0.1.
- Ghemical home page
- Ghemical version that interfaces GAMESS (US)
- Ghemical plugin for Bioclipse
- A Guide to Ghemical in finnish (in Finnish)