Sophie

Sophie

distrib > Fedora > 13 > i386 > media > updates-src > by-pkgid > 15f9dbaaa06d86fa839248b47e8fafec

ghemical-2.99.2-15.fc13.src.rpm

Description:

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.

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