Workflow1signatures_file00Input_SDF00Iterations00Tagged_SDFile00Curated_SDF00output_fileTagged_SDFileCurated_SDFIterative_SDfile_ReaderFile0# Of Structures Per Iteration0Structures10org.openscience.cdk.applications.tavernacdk-taverna-2-activity0.5.1org.openscience.cdk.applications.taverna.iterativeio.IterativeSDFileReaderActivity Iterative SDfile Reader Iterative I/O net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeTag_Molecules_With_UUIDStructures1Tagged Structures11org.openscience.cdk.applications.tavernacdk-taverna-2-activity0.5.1org.openscience.cdk.applications.taverna.miscellaneous.TagMoleculesWithUUIDActivity Tag Molecules With UUID Miscellaneous net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeMolecule_Connectivity_CheckerStructures1Accepted11org.openscience.cdk.applications.tavernacdk-taverna-2-activity0.5.1org.openscience.cdk.applications.taverna.curation.MoleculeConnectivityCheckerActivity Molecule Connectivity Checker Molecule Curation ATOM COUNT CUTOFF 6 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeRemove_Sugar_GroupsStructures1Curated11org.openscience.cdk.applications.tavernacdk-taverna-2-activity0.5.1org.openscience.cdk.applications.taverna.curation.SugarGroupRemoverActivity Remove Sugar Groups Molecule Curation net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeCurate_Strange_ElementsStructures1CURATED11org.openscience.cdk.applications.tavernacdk-taverna-2-activity0.5.1org.openscience.cdk.applications.taverna.curation.CurateStrangeElementsActivity Curate Strange Elements Molecule Curation net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeGenerate_Atom_SignaturesStructures1Atom Signatures11org.openscience.cdk.applications.tavernacdk-taverna-2-activity0.5.1org.openscience.cdk.applications.taverna.signaturescoring.AtomSignatureActivity Generate Atom Signatures Signature Scoring ATOM SIGNATURE HEIGHT 2 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeText_File_WriterStrings1File0Files11org.openscience.cdk.applications.tavernacdk-taverna-2-activity0.5.1org.openscience.cdk.applications.taverna.io.TextFileWriterActivity Text File Writer I/O ONE FILE PER ITERATION false FILE EXTENSION .txt net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeSDFile_WriterStructures1File0Files11org.openscience.cdk.applications.tavernacdk-taverna-2-activity0.5.1org.openscience.cdk.applications.taverna.io.MDLSDFileWriterActivity SDFile Writer I/O ONE FILE PER ITERATION false FILE EXTENSION .sdf net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeSDFile_Writer_2Structures1File0Files11org.openscience.cdk.applications.tavernacdk-taverna-2-activity0.5.1org.openscience.cdk.applications.taverna.io.MDLSDFileWriterActivity SDFile Writer I/O ONE FILE PER ITERATION false FILE EXTENSION .sdf net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeIterative_SDfile_ReaderFileInput_SDFIterative_SDfile_Reader# Of Structures Per IterationIterationsTag_Molecules_With_UUIDStructuresIterative_SDfile_ReaderStructuresMolecule_Connectivity_CheckerStructuresTag_Molecules_With_UUIDTagged StructuresRemove_Sugar_GroupsStructuresMolecule_Connectivity_CheckerAcceptedCurate_Strange_ElementsStructuresRemove_Sugar_GroupsCuratedGenerate_Atom_SignaturesStructuresCurate_Strange_ElementsCURATEDText_File_WriterStringsGenerate_Atom_SignaturesAtom SignaturesText_File_WriterFilesignatures_fileSDFile_WriterStructuresTag_Molecules_With_UUIDTagged StructuresSDFile_WriterFileTagged_SDFileSDFile_Writer_2StructuresCurate_Strange_ElementsCURATEDSDFile_Writer_2FileCurated_SDFoutput_fileText_File_WriterFilesTagged_SDFileSDFile_WriterFilesCurated_SDFSDFile_Writer_2Files a4a68e49-b751-4d06-85df-1064fa860169 2011-05-13 14:24:41.528 BST 52aa1099-6a4d-453d-ba0b-968ebe1ccb02 2011-05-11 09:41:04.398 BST 4dfda842-3e90-4ead-ac6b-8a90aa5f466d 2011-05-13 14:26:49.145 BST 8b7ec720-831c-4eab-9ba4-a5313cba031a 2011-05-11 09:42:37.839 BST