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Ghemical: Chemical Modelling
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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.
Figure 36.1:
The Gnome Chemistry Modeller
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