OEMakeETGrid

OEMakeETGrid(grid: OEScalarGrid, mol: Union[OEGraphMol,OEMol,OEQMol],
             et: OEET) -> bool

Calculates the electrostatic Tanimoto grid for the mol passed in and the reference molecule that needs to be already set to the OEET instance. Both mol and the reference molecule set via OEET.SetRefMol must have 3D coordinates and partial charges assigned.