Compounds component for the OpenTox framework
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README

OpenTox Compounds
=================

* An OpenTox REST Webservice (http://www.opentox.org)
* Implements the OpenTox compound API 1.1 (http://opentox.org/dev/apis/api-1.1/structure)

REST operations:

Get the representation of a compound 	GET 	/compound/{id} 	- 												Compound representation		200,404,500
Create a new compound 							 	POST 	/compound 			Compound representation		URIs for new compounds 		200,400,500

Supported MIME formats (http://chemical-mime.sourceforge.net/):

	* chemical/x-daylight-smiles (default)
	* chemical/x-inchi
	* chemical/x-mdl-sdfile
	* text/plain (chemical names)
	* 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/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/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/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/compound

	Get SMILES for a compound_uri:
		curl http://webservices.in-silico.ch/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/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/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