Gopenmol, Molden, VMD, (freeware) www.ks.uiuc.edu/Research/vmd,
Structure optimisation based on non-electronic structure methods: Molecular Mechanics Hyperchem www.hyper.com
Electronic Structure methods Hyperchem / Winmopac (freeware) www.winmopac.com
Molecular Dynamics programs. Hyperchem /NAMD (freeware) www.ks.uiuc.edu/Research/namd/