Documentation 16.06.20.0 File Formats Molecule Formats Molecule formats are able to store only chemically relevant information of the molecule. Molecule Formats CML CML Export Options MDL MOL files MDL MOLfiles, RGfiles, SDfiles, Rxnfiles, RDfiles formats Chemaxon specific information in MDL MOL files MOL file compression MDL MOL Import and Export Options Default valence of metal atoms Daylight SMILES related formats SMILES SMARTS SMILES and SMARTS import and export options ChemAxon SMILES extensions ChemAxon Extended SMILES and SMARTS (CXSMILES and CXSMARTS) CXSMILES and CXSMARTS import and export options ChemAxon SMILES Abbreviated Group IUPAC InChI and InChIKey InChi and InChiKey export options Name Name import and export options Sequences (peptide, DNA, RNA) Peptide import and export options FASTA file format FASTA import options Protein Data Bank (PDB) file format Standard PDB residues PDB import and export options Tripos SYBYL MOL and MOL2 formats Tripos Mol2 format Tripos SYBYL MOL format XYZ format XYZ import and export options Gaussian related file formats Gaussian Cube format Gaussian Cube import and export options Gaussian input/output format Markush DARC format (VMN) VMN peptide import option