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Project Description

Ghemical is a molecular modelling software package with some nice 3D visualization tools. It supports methods based on both molecular mechanics and quantum mechanics (using MOPAC7, and MPQC for QM). The geometry optimization (for MM and QM) and molecular dynamics (for MM) algorithms are included. Ghemical is written in C++, and hopefully offers a good framework for a generic freeware molecular modelling tool.

System Requirements

System requirement is not defined
Information regarding Project Releases and Project Resources. Note that the information here is a quote from Freecode.com page, and the downloads themselves may not be hosted on OSDN.

2007-09-24 16:46
2.95

Ghemical is now heading towards a new stable
release. The current release is the recommended
version for "production" use. It's not an official
stable release because of the newly added Win32
port, which still needs some finishing touches
before everything works.
Tags: GTK2, Major feature enhancements

2006-04-24 19:14
2.00

The application was finally ported to the GTK2
environment. The features are the same as in older
1.9x versions.
Tags: GTK2, Major feature enhancements

2005-11-12 14:26
1.91

Problems with GCC 4 were fixed along with graphics problems on 64-bit platforms.
Tags: GTK2, Major bugfixes

2005-07-01 22:07
1.90

The project is split into separate libghemical and ghemical parts. The way external dependencies (MOPAC7, MPQC, and OpenBabel) are used is cleaned up. The application has a GTK2 user interface.
Tags: GTK2, Major feature enhancements

2005-07-01 22:06
1.02

Bugfixes have been added, and there are improvements in configuration scripts.
Tags: GNOME1, Minor feature enhancements

Project Resources

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