From 2addee9b878fc3315eaf17cd7ab2b42092a73458 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Tue, 5 Dec 2023 08:26:22 +0100
Subject: [PATCH] bugfix in mol.alg.scoring
The assignment dropped all changes that were made by molck
---
modules/mol/alg/pymod/scoring.py | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/modules/mol/alg/pymod/scoring.py b/modules/mol/alg/pymod/scoring.py
index 4cfcc614d..e3fd114ce 100644
--- a/modules/mol/alg/pymod/scoring.py
+++ b/modules/mol/alg/pymod/scoring.py
@@ -172,8 +172,8 @@ class Scorer:
assign_elem=True)
Molck(self._model, conop.GetDefaultLib(), molck_settings)
Molck(self._target, conop.GetDefaultLib(), molck_settings)
- self._model = model.Select("peptide=True or nucleotide=True")
- self._target = target.Select("peptide=True or nucleotide=True")
+ self._model = self._model.Select("peptide=True or nucleotide=True")
+ self._target = self._target.Select("peptide=True or nucleotide=True")
# catch models which have empty chain names
for ch in self._model.chains:
--
GitLab