povme Researchers engaged in computer-aided drug design often wish to measure the volume of a ligand-binding pocket in order to predict pharmacology. We have recently developed a simple algorithm, called POVME (POcket Volume MEasurer), for this purpose. POVME is Python implemented, fast, and freely available.
Platforms: Any platform where Python is available.
Please acknowledge the use of NBCR software: "This project was supported by grants from the National Center for Research Resources (5P41RR008605-19) and the National Institute of General Medical Sciences (P41 GM103426) from the National Institutes of Health "
povme Citation: [Wagner, J. R., J. Sorensen, N. Hensley, C. Wong, C. Zhu, T. Perison, and R. E. Amaro. 2017. POVME 3.0: Software for Mapping Binding Pocket Flexibility. J Chem Theory Comput 13:4584-4592.]