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Commit 6eb18380 authored by Studer Gabriel's avatar Studer Gabriel
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flag to disable lddt stereochecks in compare-structures action

parent b7163962
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Tags 1.8.0
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......@@ -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:
......
......@@ -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
......
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