Indigo Utilities¶
Indigo service¶
Indigo service provides RESTful API for the following operations:
Aromatize, dearomatize molecules and reactions
2D Layout for structures
Converting formats in all directions (Molfile,Smiles,Inchi,IUPAC name,CML,etc.)
Rendering structures from text format into images (PNG,PDF)
Image recognition toolkit
Calculating molecular and reaction properties
Use following guides to run the service.
KNIME Nodes¶
We provide a number of freely available nodes for the KNIME workflow engine. The nodes are based on Indigo and its Java SDK.
Java GUI Utilities¶
Two Indigo-based Java GUI applications are provided:
Command-Line Utilities¶
Three Indigo-based command-line utilities written in plain C are provided:
indigo-depict (former
dingo-render
) Molecule and reaction rendering utility.indigo-cano (former
cano-utility
) Canonical SMILES generator.indigo-deco (former
deco
) R-Group deconvolution utility.