GNU/Linux Desktop Survival Guide
by Graham Williams
Ghemical: Chemical Modelling
Ghemical is a package for computational chemistry being developed at the Department of Chemistry, University of Kuopio, Finland. The package supports all-atoms molecular mechanics and reduced protein models. Geometry optimisation, molecular dynamics, and visualisation tools are available. Ghemical can be directly linked into the quantum chemistry program MPQC for quantum-mechanical calculations, effectively serving as a graphical front-end for the MPQC program, thus providing various 3D-plots for electron densities, molecular orbitals, and molecular orbital densities.