dataflow0TPSAXLogPXMPP_SMILES2CMLiodata-in0iodata-out00com.github.xwstaverna.activitiesxmpp-activity0.1net.sf.taverna.t2.activities.xmpp.XMPPActivity egonw@jabber.org/home ***** ws1.bmc.uu.se 5222 cdk.ws1.bmc.uu.se SMILES2CML net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeString_Constantvalue00net.sf.taverna.t2.activitiesstringconstant-activity0.4net.sf.taverna.t2.activities.stringconstant.StringConstantActivity <smiles xmlns="urn:xws:cdk:input">COCCOC</smiles> net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeXMPP_addExplicitHydrogensiodata-in0iodata-out00com.github.xwstaverna.activitiesxmpp-activity0.1net.sf.taverna.t2.activities.xmpp.XMPPActivity egonw@jabber.org/home ***** ws1.bmc.uu.se 5222 cdk.ws1.bmc.uu.se addExplicitHydrogens net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeXMPP_generate3dCoordinatesiodata-in0iodata-out00com.github.xwstaverna.activitiesxmpp-activity0.1net.sf.taverna.t2.activities.xmpp.XMPPActivity egonw@jabber.org/home ***** ws1.bmc.uu.se 5222 cdk.ws1.bmc.uu.se generate3Dcoordinates net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeXMPP_TPSAiodata-in0iodata-out00com.github.xwstaverna.activitiesxmpp-activity0.1net.sf.taverna.t2.activities.xmpp.XMPPActivity egonw@jabber.org/home ***** ws1.bmc.uu.se 5222 descriptor.ws1.bmc.uu.se TPSA net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeXMPP_XLogPiodata-in0iodata-out00com.github.xwstaverna.activitiesxmpp-activity0.1net.sf.taverna.t2.activities.xmpp.XMPPActivity egonw@jabber.org/home ***** ws1.bmc.uu.se 5222 descriptor.ws1.bmc.uu.se XLogP net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2workflowmodel-impl0.4net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeXMPP_SMILES2CMLiodata-inString_ConstantvalueXMPP_addExplicitHydrogensiodata-inXMPP_SMILES2CMLiodata-outXMPP_generate3dCoordinatesiodata-inXMPP_addExplicitHydrogensiodata-outXMPP_TPSAiodata-inXMPP_generate3dCoordinatesiodata-outXMPP_XLogPiodata-inXMPP_generate3dCoordinatesiodata-outTPSAXMPP_TPSAiodata-outXLogPXMPP_XLogPiodata-out