From dc372d6f8e8e062443eaf0d28e08c1cceae8df61 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Wed, 17 Jan 2024 09:40:54 +0100
Subject: [PATCH] scoring: add DockQ specific fnonnat to compare-structures
output
---
actions/ost-compare-structures | 1 +
1 file changed, 1 insertion(+)
diff --git a/actions/ost-compare-structures b/actions/ost-compare-structures
index 9606e32f4..3f91c3de7 100644
--- a/actions/ost-compare-structures
+++ b/actions/ost-compare-structures
@@ -822,6 +822,7 @@ def _Process(model, reference, args):
out["dockq_interfaces"] = scorer.dockq_interfaces
out["dockq"] = [_RoundOrNone(x) for x in scorer.dockq_scores]
out["fnat"] = [_RoundOrNone(x) for x in scorer.fnat]
+ out["fnonnat"] = [_RoundOrNone(x) for x in scorer.fnonnat]
out["irmsd"] = [_RoundOrNone(x) for x in scorer.irmsd]
out["lrmsd"] = [_RoundOrNone(x) for x in scorer.lrmsd]
out["nnat"] = scorer.nnat
--
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