OEGetCalculatedInteractionGeometries

OEGetCalculatedInteractionGeometries(itype: OEInteractionHintTypeBase) -> Iterable[str]

Returns an iterator over the names of the geometries generated for the given interaction hint type.

Example:

hbondacc = oechem.OEHBondInteractionHint(oechem.OEHBondInteractionHintType_LigandAccepts)
print("Calculated geometries for '{}' interaction type:".format(hbondacc.GetName()))
for geom in oechem.OEGetCalculatedInteractionGeometries(hbondacc):
    print(geom)

See also

• Accessing Calculated Interaction Hint Geometries section

• OEInteractionHintTypeBase class

• OEInteractionHint.GetCalculatedGeometries method