DruGUI is a VMD plugin GUI and a Python module developed for setup and analysis of simulations described in Bakan et al., 2012.
http://prody.csb.pitt.edu/drugui/
Bakan A, Nevins N, Lakdawala AS, Bahar I `Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules J Chem Theory Comput 2012 8(7):2435-2447