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
- Last updated on .