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Diffstat (limited to 'README')
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1 files changed, 24 insertions, 1 deletions
@@ -15,6 +15,29 @@ Supported MIME formats (http://chemical-mime.sourceforge.net/): * chemical/x-inchi * chemical/x-mdl-sdfile * text/plain (chemical names) - * link to image/gif (output only) + * image/gif (returns image uri, output only) + +Examples: + + Create a compound_uri from smiles: + curl -X POST -H "Content-Type:chemical/x-daylight-smiles" --data-binary "c1ccccc1" http://webservices.in-silico.ch/test/compound + + Create a compound_uri from a SD file: + curl -X POST -H "Content-Type:chemical/x-mdl-sdfile" --data-binary @my.sdf http://webservices.in-silico.ch/test/compound + + Create a compound_uri from name (or any other identifier that can be resolved with the Cactus service): + curl -X POST -H "Content-Type:text/plain" --data-binary "Benzene" http://webservices.in-silico.ch/test/compound + + Create a compound_uri from CAS: + curl -X POST -H "Content-Type:text/plain" --data-binary "71-43-2" http://webservices.in-silico.ch/test/compound + + Get SMILES for a compound_uri: + curl http://webservices.in-silico.ch/test/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H + + Get a SD file for a compound_uri: + curl -H "Accept:chemical/x-mdl-sdfile" http://webservices.in-silico.ch/test/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H + + Get all names for a compound_uri: + curl -H "Accept:text/plain" http://webservices.in-silico.ch/test/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H Installation: http://wiki.github.com/helma/opentox-documentation/installation-of-opentox-webservices |