Bug#121296: ITP: ghemical -- A GNOME molecular modelling environment
Description: A GNOME molecular modelling environment
Ghemical is a computational chemistry software package written in C++.
It has a graphical user interface and it supports both quantum-
mechanics (semi-empirical) models and molecular mechanics models.
Geometry optimization, molecular dynamics and a large set of
visualization tools using OpenGL are currently available.
Ghemical relies on external code to provide the quantum-mechanical
calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come
from the MOPAC7 package (Public Domain), and are included in the
The project started as a freeware molecular modelling package, but
since the graphical user interface part of the package is quite
advanced and clearly written (according to our own biased view, at
least), the package now aims to become a common framework for molecular
modelling programs generally.
If nobody objects, I will upload ghemical_0.81-1 in a couple of days.