E. Skorb

Siteomix: a PyMOL plugin for the detection, alignment, and similarity analysis of protein‒ligand binding sites

Siteomix is an integrated plugin for the PyMOL molecular graphics system that automates the detection of binding pockets via the LIGSITE algorithm, visualizes them as discrete point clouds colored by cavity depth, and performs a two-step alignment combining the rigid iterative closest point (ICP) algorithm with differential evolution optimization.