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schwede
openstructure
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447fcbed
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447fcbed
authored
1 year ago
by
Studer Gabriel
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additional compare-structures output
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447fcbed
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@@ -633,6 +633,18 @@ def _Main():
bu_idx=args.model_biounit,
fault_tolerant = args.fault_tolerant)
out = _Process(model, reference, args)
# append input arguments
out["model"] = args.model
out["reference"] = args.reference
out["fault_tolerant"] = args.fault_tolerant
out["model_biounit"] = args.model_biounit
out["reference_biounit"] = args.reference_biounit
out["residue_number_alignment"] = args.residue_number_alignment
out["enforce_consistency"] = args.enforce_consistency
out["cad_exec"] = args.cad_exec
out["usalign_exec"] = args.usalign_exec
out["lddt_no_stereochecks"] = args.lddt_no_stereochecks
out["status"] = "SUCCESS"
with open(args.output, 'w') as fh:
json.dump(out, fh, indent=4, sort_keys=False)
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