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:

  • Legio — combinatorial chemistry

  • ChemDiff — visual comparison of two SDF or SMILES files

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.