Bug#121296: ITP: ghemical -- A GNOME molecular modelling environment

[Michael Banck <mbanck@gmx.net>]

Package: wnpp
Severity: wishlist
License: gpl
Url: http://people.debian.org/~mbanck/debs
Upstream: http://www.uku.fi/~thassine/ghemical
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
 package.  
 .  
 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.

Michael