OEGetEstimatedPositProbability

OEGetEstimatedPositProbability(ligand: OEMol, du: OEDesignUnit) -> float
OEGetEstimatedPositProbability(ligand: OEMol,
                               receptor: Union[OEGraphMol,OEMol,OEQMol]) -> float

Given a multi conformer ligand and a receptor, return the probability that, if the ligand binds to the receptor, the binding pose of the ligand can be retrieved.

This function is helpful in selecting a receptor to pose against from a group of receptors.