OESetupBox

bool OESetupBox(OEMath::OEBox&, const OEChem::OEMolBase&,
                        float addbox = 0.0f);

This function sets up the minimum box size that encloses the passed-in molecule, with an option to extend each box face by a specified value addbox.

bool OESetupBox(OEMath::OEBox&, const OEChem::OEMCMolBase&,
                       float addbox = 0.0f);

This function sets up the minimum box size that encloses all conformers of the input molecules, with an option to extend each box face by a specified value addbox.