Indigo is an open-source cheminformatics toolkit focused on reading and writing chemical structure formats reliably.
How Moleculix uses it
A molecule built in Moleculix++ shouldn’t be trapped there. Indigo handles the import and export side, so your work travels:
- Import existing structures from standard formats — SDF, MOL, PDB, SMILES
- Export anything you build in Moleculix++ back out to those same formats
- Keep structures compatible with other tools in your workflow (RDKit, OpenMM, or external software)
- Avoid a proprietary file format lock-in for your models
Scriptable via Python
Format conversion is also available through Moleculix++’s Python bindings — script bulk imports or exports, convert a whole directory of structures, or hook Indigo’s parsing directly into your own pipeline.