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authorChristoph Helma <helma@in-silico.de>2009-11-16 18:21:02 +0100
committerChristoph Helma <helma@in-silico.de>2009-11-16 18:21:02 +0100
commit9db4eceef029ec6260f45e9a69126928d47c03df (patch)
treeb8309b1760a5d991433315e2ead40d7837623a08
parentd4759e3a80d5a961b03f7cd7ff856cc6dd5a7b99 (diff)
README updated
-rw-r--r--README60
1 files changed, 2 insertions, 58 deletions
diff --git a/README b/README
index 5159305..5b09122 100644
--- a/README
+++ b/README
@@ -2,64 +2,8 @@ OpenTox Compounds
=================
* An OpenTox REST Webservice (http://www.opentox.org)
+* Implements the OpenTox compounds API
-* Uses OpenBabel (http://openbabel.sf.net) and the CACTUS REST webservice (http://cactus.nci.nih.gov/chemical/structure).
-
-* Implements a subset of the OpenTox compounds API (http://opentox.org/wiki/opentox/Structure).
-
-* This version runs at http://webservices.in-silico.ch/compound/v0
-
-REST API
-
-Description Method URI Parameters Result Status codes
-
-Get a representation GET /{id} Compound 200, 500
-of the structure representation
-
-Representation defaults to Smiles. InChI, sdf, gif-images and names/synonyms are currently supported
-To select a representation you can
- - add the desired extension (smiles|inchi|sdf|imag|names) to the URI, e.g. /{id}.names to get all names
- - or select the desired mime/type in the request header
-
-Create the URI for a POST / smiles or Compound URI 200, 500
-compound name
-
-Compounds can be initialized by smiles or name, names can be anything that identifies a compound
-(e.g. InChI, InChI Key, CAS, synonyms)
-
-Match a Smarts string GET /{id}/match/{smarts} - true|false 200, 500
-
-Make sure to URI encode the smarts string!
-
-Indexing (i.e. GET /) and deletion operations are not supported, because objects are not stored.
-
-EXAMPLES
-
-Create an URI for Benzene:
-
- curl -X POST -d name=Benzene http://webservices.in-silico.ch/compound/v0
-
-Create an URI for Benzene from the Smiles string:
-
- curl -X POST -d smiles='c1ccccc1' http://webservices.in-silico.ch/compound/v0
-
-Get all synonyms for benzene:
-
- curl http://webservices.in-silico.ch/compound/v0/c1ccccc1.names
-
-Get the SDF File:
-
- curl http://webservices.in-silico.ch/compound/v0/c1ccccc1.sdf
-
-Can we find a nitrogen in benzene?
-
- curl http://webservices.in-silico.ch/compound/v0/c1ccccc1/match/N
-
- Please make sure that smarts strings are URI encoded!
-
-
-INSTALLATION
-
-Run 'rake install' to install the required gems and openbabel
+Documentation: Source code (application.rb)
Copyright (c) 2009 Christoph Helma. See LICENSE for details.