diff --git a/actions/ost-compare-ligand-structures b/actions/ost-compare-ligand-structures index a221d950be4b0e95c42bc7e1269d32f7dcc5a8d9..ca70acf32ff8f832e7d0f11378a33b9f338727c1 100644 --- a/actions/ost-compare-ligand-structures +++ b/actions/ost-compare-ligand-structures @@ -227,9 +227,19 @@ def _ParseArgs(): "-ra", "--rmsd-assignment", dest="rmsd_assignment", - default=False, + default=True, action="store_true", - help=("Use RMSD for ligand assignment.")) + help=("Use RMSD only for ligand assignment " + "(default since OpenStructure 2.8).")) + + parser.add_argument( + "-sa", + "--separate-assignment", + dest="rmsd_assignment", + default=True, + action="store_false", + help=("Use separate ligand assignments for RMSD and lDDT-PLI " + "(opposite of --rmsd-assignment).")) parser.add_argument( "-u",