CDK Structure Visualizer
Contact: Christoph Helma
Categories: Report generation
Exposed methods:
|
display |
|
|---|---|
| Input: | Chemical structure |
| Output: | Image of the 2D structure |
| Input format: | Smiles |
| Output format: | png |
| User-specified parameters: | Chemical structure |
| Reporting information: | |
|
display_fragments |
|
| Input: | Chemical structure, activating and deactivating fragments with associated p-values, unknown fragments |
| Output: | Image of 2D structure with highlighted fragments |
| Input format: | Smiles/Smarts |
| Output format: | png |
| User-specified parameters: | Chemical structure, fragments, p-values |
| Reporting information: | |
Description:
REST webservice for structure visualization and highlighting of substructures
Type of Descriptor:
Interfaces: Webservice
Development status: Production
Homepage: http://github.com/helma/cdk-structure-visualizer
Dependencies:
External components: Chemistry Development Kit (CDK)
Technical details
Data: No
Software: Yes
Programming language(s): Ruby, Java
Operating system(s): Cross platform, implemented and tested on Linux
Input format: Smiles
Output format: png image
License: GPL
