MolToInchiStringmolFile00 A MOL file representing a compound 2010-07-09 12:00:53.326 BST 07091011592D 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 M END 2010-07-09 11:59:55.546 BST inchiMolToInChIparameters0parameters00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.WSDLActivity http://www.chemspider.com/InChI.asmx?WSDL MolToInChI 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.InvokeMolToInChI_inputmol0output00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLInputSplitterActivity <s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="MolToInChI" name="parameters" qname="{http://www.chemspider.com/}MolToInChI"><s:elements><s:basetype optional="true" unbounded="false" typename="string" name="mol" qname="{http://www.chemspider.com/}&gt;MolToInChI&gt;mol" /></s:elements></s:complextype></s:extensions> false mol 0 'text/plain' 0 output 0 'text/xml' 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.InvokeMolToInChI_outputinput0MolToInChIResult00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLOutputSplitterActivity <s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="MolToInChIResponse" name="parameters" qname="{http://www.chemspider.com/}MolToInChIResponse"><s:elements><s:basetype optional="true" unbounded="false" typename="string" name="MolToInChIResult" qname="{http://www.chemspider.com/}&gt;MolToInChIResponse&gt;MolToInChIResult" /></s:elements></s:complextype></s:extensions> java.lang.String false input 0 'text/xml' 0 MolToInChIResult 0 'text/plain' 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.InvokeMolToInChIparametersMolToInChI_inputoutputMolToInChI_inputmolmolFileMolToInChI_outputinputMolToInChIparametersinchiMolToInChI_outputMolToInChIResult MolToInchiString 2010-07-09 12:00:21.949 BST Converts a MOL file to InChI. Result is v1.02s InChI. 2010-07-09 12:00:38.743 BST 2b13dcaf-074c-4cf3-a4c0-4972fafa3640 2010-07-09 12:01:04.269 BST cb58f7ae-08f4-41c3-a65f-b6ac73581926 2010-07-09 11:59:59.339 BST Peter Li 2010-07-09 12:00:11.478 BST