OEGetEstimatedPositProbabilityΒΆ

double OEGetEstimatedPositProbability(
        const OEChem::OEMCMolBase &ligand,
        const OEChem::OEMolBase   &receptor);

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 useful to selecting a receptor to pose against from a collection of receptors.