sci-chemistry@gentoo.org Gentoo Chemistry Project Ghemical 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. Use sci-chemistry/mopac7 for semi-empirical calculations Use sci-chemistry/mpqc for quantum-mechanical calculations