OESerializeInteractionsHintContainer

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

bool OESerializeInteractionsHintContainer(OEChem::OEMolBase& protein,
                                          OEChem::OEMolBase& ligand,
                                          const OEInteractionHintContainer& asite)

Serializes the interaction hints between a protein and a ligand from a given container and stores the serialized data in the protein and ligand molecules. The molecules can then be written to an .oeb file and the interaction hints can be reconstructed using the OEConstructInteractionHintContainer function.