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
xchem · Aug 15, 2019 · 8281f44 · 8281f44
1 parent acf5ad9
commit 8281f44
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Showing 3 changed files with 4 additions and 4 deletions.
diff --git 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
@@ -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'
             '     #          [email protected]                                 #\n'

diff --git 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'):