OEMakeVoidVolume

OEMakeVoidVolume(mol1: Union[OEGraphMol,OEMol,OEQMol],
                 mol2: Union[OEGraphMol,OEMol,OEQMol],
                 grid: OEScalarGrid, resolution: float,
                 probeRad: float = 1.4) -> bool

Constructs a grid representing the void, or unoccupied, volume between a ligand (mol1) and a macromolecule (mol2) that can accommodate a spherical probe with radius less than probeRadius. The resolution of the grid is specified by resolution. The grid grid is resized to fit a 5 Angstrom envelope around mol1, and its values are set to 1.0 inside the void volume and 0.0 outside.