diff --git a/wwpdb/utils/wf/plugins/ChemCompUtils.py b/wwpdb/utils/wf/plugins/ChemCompUtils.py index 21a82a5..52d6369 100644 --- a/wwpdb/utils/wf/plugins/ChemCompUtils.py +++ b/wwpdb/utils/wf/plugins/ChemCompUtils.py @@ -51,7 +51,10 @@ class ChemCompUtils(UtilsBase): def __init__(self, verbose=False, log=sys.stderr): super(ChemCompUtils, self).__init__(verbose, log) + # DO NOT SET TO TRUE - RcsbDpUtility removes setWorkingDir - breaks image generation ligand lite as directories removed!! + # Cannot cleanup after chemCompAssignOp self.__cleanUp = False + self.__cleanUpSafe = True """Flag to remove any temporary directories created by this class. """ # @@ -70,9 +73,10 @@ def chemCompLinkOp(self, **kwArgs): dp.imp(pdbxPath) dp.op("chem-comp-link") dp.exp(ccLinkPath) - if self.__cleanUp: + if self.__cleanUpSafe: dp.cleanup() if self._verbose: + self._lfh.write("+ChemCompUtils.chemCompLinkOp() - PDBx XXXXX: %s\n" % self.__cleanUpSafe) self._lfh.write("+ChemCompUtils.chemCompLinkOp() - PDBx file path: %s\n" % pdbxPath) self._lfh.write("+ChemCompUtils.chemCompLinkOp() - CC link file path: %s\n" % ccLinkPath) return True