Chemical Format Translation

  • Datagrok Bio: Chemical format translation in Datagrok
    Link
  • 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 Link
  • OpenBabel: toolkit for drug discovery, file format etc (standalone)
    Publication Link
  • pybel: Python wrapper for the OpenBabel cheminformatics toolkit
    Publication Link
  • 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
    Link