Fix to Coot output files (#75)

Author: paulsbond

CHANGELOG.md

@@ -1,5 +1,9 @@
 # CCP4i2 Changelog
 
+## [2.3.3] - 2025-05-29
+
+- Fix to Coot output files
+
 ## [2.3.2] - 2025-05-22
 
 - Avoid re-importing files with the same checksum

VERSION

@@ -1 +1 @@
-v2.3.2
+v2.3.3

core/version.params.xml

@@ -5,8 +5,8 @@
     <function>PARAMS</function>
     <pluginName>ccp4i2</pluginName>
     <userId></userId>
-    <creationTime>22/May/2025</creationTime>
-    <ccp4iVersion>2.3.2</ccp4iVersion>
+    <creationTime>29/May/2025</creationTime>
+    <ccp4iVersion>2.3.3</ccp4iVersion>
     <pluginVersion></pluginVersion>
   </ccp4i2_header>
 </ccp4i2>

wrappers/coot_rebuild/script/coot_rebuild.py

@@ -297,7 +297,6 @@ def processOutputFiles(self):
                 xyzoutList[iFile].subType = 1
             #Here truncate the xyzoutList back to the numberof files that were actually found
             xyzoutList = xyzoutList[0:len(outList)]
-            self.container.outputData.XYZOUT.set(xyzoutList)
 
             #Ligand builder places output cifs in the coot-cif directory as prorg-out.cif
             #'prodrgify this residue' places output cifs in the coot-cif directory as prodrg-???.cif
@@ -318,7 +317,6 @@ def processOutputFiles(self):
                 dictoutList[iFile].annotation = annotation
             #Here truncate the dictoutList back to the numberof files that were actually found
             dictoutList = dictoutList[0:len(cifOutList)]
-            self.container.outputData.DICTOUT.set(dictoutList)
 
             # Create a trivial xml output file
             from lxml import etree