Chemical Format Translation

  • Datagrok Bio: Chemical format translation in Datagrok

  • Meeko: preparation of small molecules for AutoDock suite (.pdbqt format).
    Code Last Commit

    Publication

  • NAOMI: consistent conversion of common chemical file formats (SDF, SMILES, MOL2)

    Publication JIF

  • OpenBabel: toolkit for drug discovery, file format etc (standalone)

    Publication JIF

  • Unicon: from file conversion between standard formats SDF, MOL2, SMILES, and PDB via the generation of 2D structure coordinates and 3D structures to the enumeration of tautomeric forms, protonation states and conformer ensembles

  • pybel: Python wrapper for the OpenBabel cheminformatics toolkit

    Publication