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File formats


LINK Tutorial for SMILES, SMARTS and chemistry toolkit SMILES format (Chemistry) - Training
PDBest PDBest is a freely available platform for manipulating, filtering and normalizing biomolecules in Protein Data Bank (PDB) and mmCIF structure files standalone
CVSP Chemistry Validation and Standardization Platform provides a service to users that would like to validate and standardize their chemical structure records online
UniChem The tool efficiently produces cross-references between chemical structure identifiers from different databases. Chemistry Validation and Standardization online
Moleditor Change the format of your compound online online
LINK Mol2 file format - training
LINK PDB file file format - training
LINK SDF file file format - training
Match The MATCH web server allows one to submit a molecule to generate both the topology and parameter file for a given small molecule. Molecule file formats: pdb, sdf, mol, mol2 are all accepted online
MMFF MMFF validation suite Simulation
IUPAC IUPAC International Chemical Identifier project Chemistry
LINK Information about different chemical structure file formats including SDF. (Dalby et al. J. Chem. Inf. Comput. Sci, 32, 244-255, 1992) Chemistry