MolToInchiKeymolFile00 A MOL file representing a compound 2010-07-09 12:08:18.241 BST 07091012072D 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 12:08:03.273 BST inchiKeyMolToInChIKeyparameters0parameters00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.WSDLActivity http://www.chemspider.com/InChI.asmx?WSDL MolToInChIKey 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.InvokeMolToInChIKey_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="MolToInChIKey" name="parameters" qname="{http://www.chemspider.com/}MolToInChIKey"><s:elements><s:basetype optional="true" unbounded="false" typename="string" name="mol" qname="{http://www.chemspider.com/}&gt;MolToInChIKey&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.InvokeMolToInChIKey_outputinput0MolToInChIKeyResult00net.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="MolToInChIKeyResponse" name="parameters" qname="{http://www.chemspider.com/}MolToInChIKeyResponse"><s:elements><s:basetype optional="true" unbounded="false" typename="string" name="MolToInChIKeyResult" qname="{http://www.chemspider.com/}&gt;MolToInChIKeyResponse&gt;MolToInChIKeyResult" /></s:elements></s:complextype></s:extensions> java.lang.String false input 0 'text/xml' 0 MolToInChIKeyResult 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.InvokeMolToInChIKeyparametersMolToInChIKey_inputoutputMolToInChIKey_inputmolmolFileMolToInChIKey_outputinputMolToInChIKeyparametersinchiKeyMolToInChIKey_outputMolToInChIKeyResult Converts a MOL file to an InChIKey. Result is v1.02s InChIKey. 2010-07-09 12:09:22.621 BST MolToInchiKey 2010-07-09 12:09:01.957 BST Peter Li 2010-07-09 12:08:54.188 BST 4caaf586-aa30-4cdd-813a-ebd9e5be6469 2010-07-09 12:09:34.212 BST 51daa255-7fd6-47ef-8dd9-7df5f097451e 2010-07-09 12:08:38.10 BST