diff --git a/actions/ost-compare-structures b/actions/ost-compare-structures index dce074bfa90beab4c358631b96f169a470ecc416..ce37557785c3382dce7ef9979f5107f2beeb38bf 100644 --- a/actions/ost-compare-structures +++ b/actions/ost-compare-structures @@ -363,6 +363,13 @@ def _ParseArgs(): "same format as the default mapping. TM-score and the mapping " "are available as keys \"tm_score\" and \"usalign_mapping\"")) + parser.add_argument( + "--lddt-no-stereochecks", + dest="lddt_no_stereochecks", + default=False, + action="store_true", + help=("Disable stereochecks for lDDT computation")) + return parser.parse_args() def _Rename(ent): @@ -501,7 +508,8 @@ def _Process(model, reference, args): resnum_alignments = args.residue_number_alignment, cad_score_exec = args.cad_exec, custom_mapping = mapping, - usalign_exec = args.usalign_exec) + usalign_exec = args.usalign_exec, + lddt_no_stereochecks = args.lddt_no_stereochecks) ir = _GetInconsistentResidues(scorer.aln) if len(ir) > 0 and args.enforce_consistency: diff --git a/modules/doc/actions.rst b/modules/doc/actions.rst index 3b6fdc277bd16506e5229c516eaf3d9d080766a3..3178a2f5f4db18daf545281aaf3bcc1903f42ade 100644 --- a/modules/doc/actions.rst +++ b/modules/doc/actions.rst @@ -255,6 +255,8 @@ Details on the usage (output of ``ost compare-structures --help``): in the same format as the default mapping. TM-score and the mapping are available as keys "tm_score" and "usalign_mapping" + --lddt-no-stereochecks + Disable stereochecks for lDDT computation