Exploration of structures in 4D (xyz and time)

Gopenmol, Molden, VMD, (freeware) www.ks.uiuc.edu/Research/vmd,

www.cmbi.ru.nl/molden/

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/