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.
|Tags||Scientific/Engineering Bioinformatics Chemistry Visualization|
|Operating Systems||POSIX Linux|
Release Notes: 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.
Release Notes: The application was finally ported to the GTK2 environment. The features are the same as in older 1.9x versions.
Release Notes: Problems with GCC 4 were fixed along with graphics problems on 64-bit platforms.
Release Notes: 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.
Release Notes: Bugfixes have been added, and there are improvements in configuration scripts.