OEZapBind

bool OEZapBind(const OEChem::OEMolBase &protein,
               const OEChem::OEMolBase &ligand, OEBindResults &results)
bool OEZapBind(const OEChem::OEMolBase &protein,
               const OEChem::OEMolBase &ligand, OESimpleBindResults &results)

Convenience functions for obtaining OEBindResults or OESimpleBindResults of a ligand and protein.