Module protliginteractionfinder

Developed by Dmitry Lupyan

This class looks at protein-ligand geometric interaction

Classes

ProtLigInteractionFinder
A tool to find between two selections.

Functions

getLigandFragments(ligand_st)
fragments the ligand in several fragments using the murcko rules.

Function Details

fragments the ligand in several fragments using the murcko rules. returns the list of mappings