From bced8e6a9e35b53a001f87a4aae025cd8140c842 Mon Sep 17 00:00:00 2001
From: Gerardo Tauriello <gerardo.tauriello@unibas.ch>
Date: Tue, 28 Nov 2017 19:17:49 +0100
Subject: [PATCH] Minor doc update
---
modules/conop/doc/cleanup.rst | 2 +-
modules/mol/alg/pymod/qsscoring.py | 2 ++
2 files changed, 3 insertions(+), 1 deletion(-)
diff --git a/modules/conop/doc/cleanup.rst b/modules/conop/doc/cleanup.rst
index 35b20e570..a7a49bdf6 100644
--- a/modules/conop/doc/cleanup.rst
+++ b/modules/conop/doc/cleanup.rst
@@ -1,7 +1,7 @@
:mod:`conop.cleanup <ost.conop.cleanup>` -- Sanitize structures
================================================================================
-.. module:: ost.conop.ceanup
+.. module:: ost.conop.cleanup
:synopsis: Contains functions to sanitize (cleanup) structures by using
information from the compound library.
diff --git a/modules/mol/alg/pymod/qsscoring.py b/modules/mol/alg/pymod/qsscoring.py
index 42c073f41..16635d702 100644
--- a/modules/mol/alg/pymod/qsscoring.py
+++ b/modules/mol/alg/pymod/qsscoring.py
@@ -56,6 +56,8 @@ class QSscorer:
qs_scorer = qsscoring.QSscorer(ent_1, ent_2)
ost.LogScript('QSscore:', str(qs_scorer.global_score))
ost.LogScript('Chain mapping used:', str(qs_scorer.chain_mapping))
+ # commonly you want the QS global score as output
+ qs_score = qs_scorer.global_score
except qsscoring.QSscoreError as ex:
# default handling: report failure and set score to 0
ost.LogError('QSscore failed:', str(ex))
--
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