OEAlignReceptorsΒΆ

OESystem::OEIterBase<const OEChem::OEMolBase> *OEAlignReceptors(
                  const OEChem::OEMolBase &target_receptor,
                  const OEChem::OEMolBase &receptor_to_align);

Given two receptors (a target and a receptor to align) return an iterator of aligned receptors. In general, on success, the iterator will only contain one aligned receptor and will be empty on failure.

OESystem::OEIterBase<const OEChem::OEMolBase> *OEAlignReceptors(
                  const OEChem::OEMolBase &target_receptor,
                  const OEChem::OEMolBase &receptor_to_align
                  const OEAlignReceptorFunction &);

Align two receptors using the supplied OEAlignReceptorFunction.