Skip to content
Snippets Groups Projects
Commit bced8e6a authored by Gerardo Tauriello's avatar Gerardo Tauriello
Browse files

Minor doc update

parent 112f767f
Branches
Tags
No related merge requests found
: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.
......
......@@ -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))
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment