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.