From 8281f44389446df12837c68ce4dfdc0b58a08521 Mon Sep 17 00:00:00 2001 From: Tobias Krojer Date: Thu, 15 Aug 2019 10:03:54 +0100 Subject: [PATCH] v1.3.8.10 (#254) v1.3.8.9 (07/08/2019) - removed obsolete 'Run DIMPLE on All Autoprocessing MTZ files' option from yellow Datasets action box - added option to parse Agamemnon data structure at DLS * v1.3.8.10 (14/08/2019) - bug fix: update DB from file system now looks for refine.split.bound-state.pdb instead of refine.bound.pdb --- gui_scripts/settings_preferences.py | 2 +- lib/XChemLog.py | 2 +- lib/XChemThread.py | 4 ++-- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/gui_scripts/settings_preferences.py b/gui_scripts/settings_preferences.py index da1daab0..68c03be2 100755 --- a/gui_scripts/settings_preferences.py +++ b/gui_scripts/settings_preferences.py @@ -30,7 +30,7 @@ def set_xce_logfile(self, xce_object): def settings(self, xce_object): # set XCE version - xce_object.xce_version = 'v1.3.8.9' + xce_object.xce_version = 'v1.3.8.10' # general settings xce_object.allowed_unitcell_difference_percent = 12 diff --git a/lib/XChemLog.py b/lib/XChemLog.py index 96315f16..79043f1c 100755 --- a/lib/XChemLog.py +++ b/lib/XChemLog.py @@ -26,7 +26,7 @@ def create_logfile(self,version): ' # #\n' ' # Version: %s #\n' %pasteVersion+ ' # #\n' - ' # Date: 07/08/2019 #\n' + ' # Date: 14/08/2019 #\n' ' # #\n' ' # Authors: Tobias Krojer, Structural Genomics Consortium, Oxford, UK #\n' ' # tobias.krojer@sgc.ox.ac.uk #\n' diff --git a/lib/XChemThread.py b/lib/XChemThread.py index c34c96b1..57da015a 100755 --- a/lib/XChemThread.py +++ b/lib/XChemThread.py @@ -395,8 +395,8 @@ def sync_refinement_results(self,xtal,db_dict): # REFINE bound pdb # - if os.path.isfile('refine.bound.pdb'): - db_dict['RefinementBoundConformation']=os.path.realpath('refine.bound.pdb') + if os.path.isfile('refine.split.bound-state.pdb'): + db_dict['RefinementBoundConformation']=os.path.realpath('refine.split.bound-state.pdb') # db_dict['RefinementBoundConformation']='refine.bound.pdb' else: # if os.path.isfile('refine.pdb'):