PUG SOAP With Taverna

These examples were created with Taverna 1.7.0. To use them, simply save the files to your local disk and open them with File:Open workflow (or Add Nested Workflow); or copy a URL and use File:Open workflow location. To add the PUG SOAP WSDL, right-click on Available Processors (by default in the upper left), select Add new WSDL scavenger, and enter the WSDL URL. Or you can add the URL to taverna.defaultwsdl in the mygrid.properties file, so that it will always be available.

Nested workflows (essentially custom processors):

• Check job status - this is the polling loop, so be sure to set the Critical flag, and a reasonable retry limit (100) and delay (10000 microseconds = 10 seconds).
• Local file to Base64

Workflows:

• SDF-based similarity search (note that the "FileName" static string should be edited to point to a local SDF file)
• Identity search from SMILES
• Substructure search from SMILES
• Download SDF