From 828c0c5a6ce32d4c4d06b01047b3c01cc473830b Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Wed, 28 Aug 2024 09:19:01 +0200
Subject: [PATCH] compare-structures: report correct transformation matrix for
rigid scores
---
actions/ost-compare-structures | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/actions/ost-compare-structures b/actions/ost-compare-structures
index 82489c26e..0318a826c 100644
--- a/actions/ost-compare-structures
+++ b/actions/ost-compare-structures
@@ -893,7 +893,7 @@ def _Process(model, reference, args, model_format, reference_format):
out["oligo_gdtts"] = _RoundOrNone(scorer.gdtts)
out["oligo_gdtha"] = _RoundOrNone(scorer.gdtha)
out["rmsd"] = _RoundOrNone(scorer.rmsd)
- data = scorer.transform.data
+ data = scorer.rigid_transform.data
out["transform"] = [data[i:i + 4] for i in range(0, len(data), 4)]
if args.patch_scores:
--
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