OEReceptorSetProteinConstraint

bool OEReceptorSetProteinConstraint(OEChem::OEMolBase& rec,
                                    const OEProteinConstraint& pc)

Sets a protein constraint. If the receptor already has a constraint on OEProteinConstraint.GetAtom the constraint will be replaced, otherwise a new one will be created.

Returns true if successful.

It is only valid to call this function if receptor is a valid receptor (i.e., OEIsReceptor returns true).