From 9db4eceef029ec6260f45e9a69126928d47c03df Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Mon, 16 Nov 2009 18:21:02 +0100 Subject: README updated --- README | 60 ++---------------------------------------------------------- 1 file 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. -- cgit v1.2.3