Generrate_inChi_informationcompound00 c1ccccc1CC(=O)C(N)CC1CCCCOC1 2010-07-09 10:13:57.528 BST A chemical compound represented by its SMILES string, SDF or MOL file 2010-07-09 10:14:26.57 BST format00 A value of MOL or SDF or SMILES or InChI to describe format of the chemical compound input 2010-07-09 10:15:45.97 BST SMILES 2010-07-09 10:15:49.92 BST version00 v102b 2010-07-09 10:18:33.248 BST Version of Inchi information to generate. A value of v102b or v102s can be provided. 2010-07-09 10:18:30.871 BST stereo00 No 2010-07-09 10:17:58.658 BST Information to describe the stereochemistry of the chemical compound. A vaule of No or Absolute or Relative or Racemic can be provided. 2010-07-09 10:17:53.457 BST No or Absolute or Relative or Racemic 2010-07-09 10:16:00.507 BST fixedH00 true 2010-07-09 10:15:00.831 BST A boolean value of true or false 2010-07-09 10:14:56.853 BST inchiInformationGenerateInChIInfoparameters0parameters00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.WSDLActivity http://www.chemspider.com/InChI.asmx?WSDL GenerateInChIInfo 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.InvokeGenerateInChIInfo_inputflags0str0format0output00net.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="GenerateInChIInfo" name="parameters" qname="{http://www.chemspider.com/}GenerateInChIInfo"><s:elements><s:basetype optional="true" unbounded="false" typename="string" name="str" qname="{http://www.chemspider.com/}&gt;GenerateInChIInfo&gt;str" /><s:basetype optional="false" unbounded="false" typename="string" name="format" qname="{http://www.chemspider.com/}&gt;GenerateInChIInfo&gt;format" /><s:complextype optional="true" unbounded="false" typename="InChIFlags" name="flags" qname="{http://www.chemspider.com/}&gt;GenerateInChIInfo&gt;flags"><s:elements><s:basetype optional="false" unbounded="false" typename="string" name="version" qname="{http://www.chemspider.com/}InChIFlags&gt;version" /><s:basetype optional="false" unbounded="false" typename="string" name="stereo" qname="{http://www.chemspider.com/}InChIFlags&gt;stereo" /><s:basetype optional="false" unbounded="false" typename="boolean" name="fixedH" qname="{http://www.chemspider.com/}InChIFlags&gt;fixedH" /></s:elements></s:complextype></s:elements></s:complextype></s:extensions> false str 0 'text/plain' false format 0 'text/plain' false flags 0 'text/xml' 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.InvokeGenerateInChIInfo_outputinput0GenerateInChIInfoResult11net.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="GenerateInChIInfoResponse" name="parameters" qname="{http://www.chemspider.com/}GenerateInChIInfoResponse"><s:elements><s:arraytype optional="true" unbounded="false" wrapped="true" typename="ArrayOfString" name="GenerateInChIInfoResult" qname="{http://www.chemspider.com/}&gt;GenerateInChIInfoResponse&gt;GenerateInChIInfoResult"><s:elementtype><s:basetype optional="false" unbounded="false" typename="string" name="" qname="{http://www.w3.org/2001/XMLSchema}string" /></s:elementtype></s:arraytype></s:elements></s:complextype></s:extensions> java.lang.String false input 0 'text/xml' 1 GenerateInChIInfoResult 1 l('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.InvokeGenerateInChIInfo_flagsversion0stereo0fixedH0output00net.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="true" unbounded="false" typename="InChIFlags" name="flags" qname="{http://www.chemspider.com/}&gt;GenerateInChIInfo&gt;flags"><s:elements><s:basetype optional="false" unbounded="false" typename="string" name="version" qname="{http://www.chemspider.com/}InChIFlags&gt;version" /><s:basetype optional="false" unbounded="false" typename="string" name="stereo" qname="{http://www.chemspider.com/}InChIFlags&gt;stereo" /><s:basetype optional="false" unbounded="false" typename="boolean" name="fixedH" qname="{http://www.chemspider.com/}InChIFlags&gt;fixedH" /></s:elements></s:complextype></s:extensions> false version 0 'text/plain' false stereo 0 'text/plain' false fixedH 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.InvokeGenerateInChIInfoparametersGenerateInChIInfo_inputoutputGenerateInChIInfo_inputflagsGenerateInChIInfo_flagsoutputGenerateInChIInfo_inputstrcompoundGenerateInChIInfo_inputformatformatGenerateInChIInfo_outputinputGenerateInChIInfoparametersGenerateInChIInfo_flagsversionversionGenerateInChIInfo_flagsstereostereoGenerateInChIInfo_flagsfixedHfixedHinchiInformationGenerateInChIInfo_outputGenerateInChIInfoResult Uses the GenerateInchiInfo web service operation from ChemSpider to generate information relating to the InChi string for a given chemical compound 2010-07-09 10:20:33.417 BST 2c29af4f-c88f-47ca-ab6c-0b9dd9e2d022 2010-07-09 10:20:34.646 BST 9ef04741-ac20-4042-a20f-ae091e4e7d49 2010-07-09 10:18:51.362 BST Generrate inChi information 2010-07-09 10:19:37.642 BST Peter Li 2010-07-09 10:19:29.842 BST