OEZapBind

OEZapBind(protein: Union[OEGraphMol,OEMol,OEQMol],
          ligand: Union[OEGraphMol,OEMol,OEQMol],
          results: OESimpleBindResults) -> bool
OEZapBind(protein: Union[OEGraphMol,OEMol,OEQMol],
          ligand: Union[OEGraphMol,OEMol,OEQMol],
          results: OEBindResults) -> bool

Convenience functions for obtaining OEBindResults or OESimpleBindResults of a ligand and protein. Both protein and ligand must have 3D coordinates, partial charges, and VDW radii assigned.