| URLs |
File formats
|
Comments |
| 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 |
