Generate_inChicompound00 c1ccccc1CC(=O)C(N)CC1CCCCOC1 2010-07-09 09:53:34.410 BST A chemical compound represented by its MOL, SDF, SMILES string or InChi string 2010-07-09 09:52:56.450 BST format00 MOL or SDF or SMILES or InChI 2010-07-09 09:51:18.375 BST SMILES 2010-07-09 09:51:22.738 BST version00 v102b 2010-07-09 09:54:16.478 BST v102b or v102s 2010-07-09 09:54:11.717 BST stereo00 No or Absolute or Relative or Racemic 2010-07-09 09:53:56.318 BST No 2010-07-09 09:53:59.424 BST fixedH00 TRUE 2010-07-09 09:50:44.683 BST true 2010-07-09 09:59:23.605 BST A boolean value 2010-07-09 09:50:53.844 BST inchi An inChi string 2010-07-09 09:54:36.542 BST GenerateInChIparameters0parameters00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.WSDLActivity http://www.chemspider.com/InChI.asmx?WSDL GenerateInChI 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.InvokeGenerateInChI_inputstr0format0flags0output00net.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="GenerateInChI" name="parameters" qname="{http://www.chemspider.com/}GenerateInChI"><s:elements><s:basetype optional="true" unbounded="false" typename="string" name="str" qname="{http://www.chemspider.com/}&gt;GenerateInChI&gt;str" /><s:basetype optional="false" unbounded="false" typename="string" name="format" qname="{http://www.chemspider.com/}&gt;GenerateInChI&gt;format" /><s:complextype optional="true" unbounded="false" typename="InChIFlags" name="flags" qname="{http://www.chemspider.com/}&gt;GenerateInChI&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.InvokeGenerateInChI_outputinput0GenerateInChIResult00net.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="GenerateInChIResponse" name="parameters" qname="{http://www.chemspider.com/}GenerateInChIResponse"><s:elements><s:basetype optional="true" unbounded="false" typename="string" name="GenerateInChIResult" qname="{http://www.chemspider.com/}&gt;GenerateInChIResponse&gt;GenerateInChIResult" /></s:elements></s:complextype></s:extensions> java.lang.String false input 0 'text/xml' 0 GenerateInChIResult 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.InvokeGenerateInChI_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;GenerateInChI&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.InvokeGenerateInChIparametersGenerateInChI_inputoutputGenerateInChI_inputstrcompoundGenerateInChI_inputformatformatGenerateInChI_inputflagsGenerateInChI_flagsoutputGenerateInChI_outputinputGenerateInChIparametersGenerateInChI_flagsversionversionGenerateInChI_flagsstereostereoGenerateInChI_flagsfixedHfixedHinchiGenerateInChI_outputGenerateInChIResult 2bd2b7f6-3ce7-4fb0-97e7-c313dd053fbe 2010-07-09 09:48:41.406 BST 599e67a5-aedc-497b-a683-41de362091a8 2010-07-09 09:55:08.934 BST Generate inChi 2010-07-09 10:03:19.269 BST 49057359-2d51-4126-8e88-493b9da0d30d 2010-07-09 09:59:25.571 BST d9d5081b-f466-439f-8b8f-d40363d662b1 2010-07-09 09:45:11.611 BST Generates an inChi string for a given chemical represented by its SMILES string, SDF or MOL file. 2010-07-09 10:03:47.442 BST 17f9a9aa-bb31-43d3-be3c-b57d0af68925 2010-07-09 09:47:34.698 BST 03a16ae9-4a34-4c1c-866f-a83026592d3e 2010-07-09 10:03:49.63 BST Peter Li 2010-07-09 10:00:59.27 BST