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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


References

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