From 447fcbed1c7e9fbab4c07fd6ec9312c974fd37fb Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 25 May 2023 15:30:54 +0200
Subject: [PATCH] additional compare-structures output
---
actions/ost-compare-structures | 12 ++++++++++++
1 file changed, 12 insertions(+)
diff --git a/actions/ost-compare-structures b/actions/ost-compare-structures
index ce3755778..5a6d09b7f 100644
--- a/actions/ost-compare-structures
+++ b/actions/ost-compare-structures
@@ -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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