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external language access
if you want to use BinBase services from your favorite language you need to use the WSDL interfaces. This gives you the possibility to import,export data or query bin information or access statistic of the system.
An overview of the available webservices can be found here
from ZSI.client import Binding b = Binding(url='http://****:8080/BinBaseCompoundServiceBeanService/BinBaseCompoundServiceBean?wsdl') print b.getBinsAsMsp("my database","my super private key")
A simple example to export all bins as MSP file using the webservice
package test import groovyx.net.ws.WSClient class GroovyTest { static void main(args) { def proxy = new WSClient("http://*.*.*.*:8080/BinBaseCompoundServiceBeanService/BinBaseCompoundServiceBean?wsdl", GroovyTest.class.classLoader) print proxy.getAllBins("my database","my super private key") } }
calls the service and returns all bins for the given database. If you need help with groovy and webservices look at this website
Taverna is a tool for generating work-flows and it's very web service focused. For this reason it's very easy to integrate it with the BinBase web services.
Workflow to generate a msp file of all bins in the BinBase (you need the private key for this)
Calculate the similarity between bin ids (public service no key needed)
Find top 10 hits in the BinBase for the given bin id's (you need the private key)
Export all unknown bin's as msp file (you need the private key)
Export all known bin's as msp file (you need the private key)
Get all inchi codes for Bin's which have a valid pubchem identifier (no key needed)
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