Ghemical 1.01



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Molecular modelling software package. Ghemical is a molecular modelling software package with a GUI (one for the GLUT library and another for GNOME) and some nice 3D-visualization tools. It can do all-atoms molecular mechanics and dynamics, athough the current parameter set is still experimental. It can also be used as a graphical front-end for the quantum chemistry program MPQC. Ghemical is written in C++, and hopefully offers a good framework for a generic freeware molecular modelling tool.