REST API

Methods

POST http://webservices.in-silico.de/cdk-structure-visualizer/display

Renders the 2D structure of a SMILES string

Parameter: smiles

Response: png image of the 2D structure

POST http://webservices.in-silico.de/cdk-structure-visualizer/display_fragments

Renders the 2D structure of a SMILES string with activating fragments highlighted in red (weighted by p-values), inactivating fragments highlighted in green (weighted by p-values) and unknown fragments highlighted in yellow

Parameters

• fragments
  • activating: Hash with Smarts patterns pointing to p-values
  • deactivating: Hash with Smarts patterns pointing to p-values
  • unknown: Array with Smarts patterns

Response: png image of the 2D structure with highlighted fragments

Example

Display benzene: POST http://webservices.in-silico.de/cdk-structure-visualizer/display smiles=c1ccccc1

Convenience methods

Although POST is preferred, GET is supported for CGI style requests (e.g. http://webservices.in-silico.de/cdk-structure-visualizer/display?smiles=c1ccccc1), Smiles strings have to be URL escaped to obtain correct results

HTTP Error Codes

405 Method not allowed Incorrect HTTP method

400 Bad request Error rendering Smiles