lilllab/watsite3 repository overview

Image contains full installation of software necessary for predicting hydration sites in enclosed binding sites: Miniconda, OpenMM-WATsite, WATsite3.0, 3D-RISM, GAsol, WATsite PyMOL-plugin. See https://pharma.unibas.ch/de/research-groups/computational-pharmacy/research/software/⁠ for additional details.