bool OEReceptorSetProteinConstraint(OEChem::OEMolBase& receptor, OEProteinConstraint& proteinConstraint)
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).