From a8287d5b179801e0dbf765d28c9a92d755420415 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Fri, 11 Mar 2011 14:26:38 +0100 Subject: README converted to markdown, .yardopts added --- README.md | 57 +++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 57 insertions(+) create mode 100644 README.md (limited to 'README.md') diff --git a/README.md b/README.md new file mode 100644 index 0000000..85f177b --- /dev/null +++ b/README.md @@ -0,0 +1,57 @@ +epenTox Compound +================ + +- An [OpenTox](http://www.opentox.org) REST Webservice +- Implements the [OpenTox compound API 1.2](http://opentox.org/dev/apis/api-1.2/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/)[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 + +[API documentation](http://rdoc.info/github/opentox/compound) +------------------------------------------------------------- + +Copyright (c) 2009-2011 Christoph Helma, Martin Guetlein, Micha Rautenberg, Andreas Maunz, David Vorgrimmler, Denis Gebele. See LICENSE for details. + -- cgit v1.2.3