OESetupBox

OESetupBox(arg1: OEBox, arg2: Union[OEGraphMol,OEQMol],
           addbox: float = 0.0) -> bool

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.

OESetupBox(arg1: OEBox, arg2: OEMol, addbox: float = 0.0) -> bool

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.