From b1a69bdfff0fd434c6de92d97c41a68b599c2f6d Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Tue, 8 Nov 2022 22:16:21 +0100
Subject: [PATCH] lDDT: bugfix
---
modules/mol/alg/pymod/lddt.py | 3 +++
1 file changed, 3 insertions(+)
diff --git a/modules/mol/alg/pymod/lddt.py b/modules/mol/alg/pymod/lddt.py
index 77ce6690d..cb5d90ccf 100644
--- a/modules/mol/alg/pymod/lddt.py
+++ b/modules/mol/alg/pymod/lddt.py
@@ -613,6 +613,9 @@ class lDDTScorer:
if n_exp > 0:
score = np.sum(per_res_conserved[idx,:]) / n_exp
per_res_lDDT[res_indices[idx]] = score
+ else:
+ per_res_lDDT[res_indices[idx]] = 0.0
+
# do full model score
if penalize_extra_chains:
--
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