wwpdb.apps.ccmodule 0.29__tar.gz → 0.29.2__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/PKG-INFO +1 -1
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/__init__.py +1 -1
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/ChemCompAssignDepict.py +8 -1
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/PKG-INFO +1 -1
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/README.md +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/setup.cfg +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/setup.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/ChemCompAnnotate.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/ChemCompAssign.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/ChemCompAssignDepictLite.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/PdbxChemCompAssign.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/depict/ChemCompDepict.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/depict/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/extract/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/extract/ccOps.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompAssignDataStore.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompDataExport.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompDataImport.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompEditStore.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompIo.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/ChemCompAlignImageGenerator.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/ChemCompAlignImages.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/ChemCompBigAlignImages.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/ChemCompGenImage.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/ChemCompReports.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/InstanceDataGenerator.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/ChemCompSearch.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/ChemCompSearchDb.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/ChemCompSearchDbDepict.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/ChemCompSearchDepict.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/DbSession.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/sketch/ChemCompSketch.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/sketch/ChemCompSketchDepict.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/sketch/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/ChemCompConfig.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/ChemCompDpUtility.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/ChemCompWFInterface.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/Exceptions.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/LigandAnalysisState.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/view/ChemCompView.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/view/ChemCompViewDepict.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/view/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/webapp/ChemCompWebApp.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/webapp/ChemCompWebAppLite.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/webapp/__init__.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/webapp/wsgi.py +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/SOURCES.txt +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/dependency_links.txt +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/not-zip-safe +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/requires.txt +0 -0
- {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/top_level.txt +0 -0
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@@ -317,7 +317,8 @@ class ChemCompAssignDepict(ChemCompDepict):
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cmpstScore = scorePrefix + str(p_ccAssgnDataStr.getBatchBestHitScore(instId)) + scoreSuffix
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#
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origMasterDpstrCcid = p_ccAssgnDataStr.getDpstrOrigCcIdMaster(instId)
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-
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authDpstrCcid = p_ccAssgnDataStr.getAuthAssignment(instId)
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loiStatus = '✔' if (origMasterDpstrCcid in rsrchGrpIdsLst) or (authDpstrCcid in rsrchGrpIdsLst) else ''
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#
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oL.append('<tr class="%s c_%s c_%s">' % (self.__rowClass(iRow), instId, authAssgndId))
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#
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@@ -592,6 +593,7 @@ class ChemCompAssignDepict(ChemCompDepict):
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# ## dpstr info handling ###
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lclDict['display_dpstr_info'] = "displaynone"
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lclDict['display_dscrptr_vw_btn'] = "displaynone"
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lclDict['display_dscrptr_error'] = "displaynone"
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naStr = "n/a"
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#
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for keyName in self.__dpstrInfoKeyList:
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@@ -1334,6 +1336,7 @@ class ChemCompAssignDepict(ChemCompDepict):
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# ## dpstr info handling ###
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lclDict['display_dpstr_info'] = "displaynone"
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lclDict['display_dscrptr_vw_btn'] = "displaynone"
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lclDict['display_dscrptr_error'] = "displaynone"
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naStr = "n/a"
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#
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for keyName in self.__dpstrInfoKeyList:
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@@ -1422,11 +1425,13 @@ class ChemCompAssignDepict(ChemCompDepict):
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(className, methodName, toLclSessnImgPth, chemCompDescriptorType.upper(), chemCompDescriptor))
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p_strReplDict['display_dscrptr_vw_btn'] = ""
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p_strReplDict['display_dscrptr_error'] = "displaynone"
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p_strReplDict['dpstr_info_dscrptr_img_pth'] = os.path.join(self.rltvAssgnSessionPath, fileName)
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else:
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# problem with importing SMILES string
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p_strReplDict['display_dscrptr_vw_btn'] = "displaynone"
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p_strReplDict['display_dscrptr_error'] = ""
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p_strReplDict['dpstr_info_dscrptr_img_pth'] = ""
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if self.__verbose:
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self.__lfh.write("+%s.%s() - Failed to generate image file [%s] from %s string [%s].\n" %
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except: # noqa: E722 pylint: disable=bare-except
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# problem with importing SMILES string
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p_strReplDict['display_dscrptr_vw_btn'] = "displaynone"
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p_strReplDict['display_dscrptr_error'] = ""
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self.__lfh.write("+%s.%s() - Failed to generate image file [%s] from %s string [%s].\n" %
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#
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else:
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p_strReplDict['display_dscrptr_vw_btn'] = "displaynone"
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p_strReplDict['dpstr_info_dscrptr_img_pth'] = ""
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if self.__verbose:
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self.__lfh.write("+%s.%s() - no SMILES string submitted for this ligand ID [%s].\n" % (className, methodName, p_grpId))
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/ChemCompAnnotate.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/ChemCompAssign.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/__init__.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/depict/ChemCompDepict.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/depict/__init__.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/extract/__init__.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/extract/ccOps.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompDataExport.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompDataImport.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompEditStore.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompIo.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/__init__.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/ChemCompSearch.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/DbSession.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/__init__.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/sketch/ChemCompSketch.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/sketch/__init__.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/ChemCompConfig.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/Exceptions.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/__init__.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/view/ChemCompView.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/view/__init__.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/webapp/ChemCompWebApp.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/webapp/__init__.py
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/SOURCES.txt
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/not-zip-safe
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/requires.txt
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{wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/top_level.txt
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