| Filetype | File Suffix |
|---|---|
| Alchemy file | alc |
| Amber PREP file | prep |
| Ball & Stick file | bs |
| Cacao Cartesian file | caccrt |
| CCC file | ccc |
| Dock 3.5 Box file | box |
| DMol3 Coordinates file | dmol |
| Feature File | feat |
| DMol3 Coordinates file | dmol |
| Feature fIle | feat |
| GAMESS Output File | gam gamout |
| Feature fIle | feat |
| HyperChem HIN file | hin |
| Jaguar Output file | jout |
| OpenEye Binary file | bin |
| MacroModel File | mmd mmod out dat |
| MSI Biosim/Insight II CAR file | car |
| MDL Isis SDF file | sdf sd |
| MDL Molfile file | mdl mol |
| MOPAC Cartensian file | mopcrt |
| MOPAC Output file | mopout |
| MPQC file | mpqc |
| MSI BGF file | bgf |
| NWChem Output file | nwo |
| PDB file | pdb |
| QChem Output file | qout |
| SMILES file | smi |
| Sybyl Mol2 file | mol2 |
| UniChem XYZ file | unixyz |
| ViewMol file | vmol |
| XYZ file | xyz |
| Filetype | File Suffix |
|---|---|
| Alchemy file | alc |
| Ball & Stick file | bs |
| Cacao Cartesian file | caccrt |
| Cacao Internal file | caccint |
| CAChe MolStruct file | cache |
| ChemDraw Connection Table file | ct |
| CSD CSSR file | cssr |
| Dock 3.5 Box file | box |
| DMol3 Coordinates file | dmol |
| Feature File | feat |
| Fenske-Hall Z-Matrix file | fh |
| GAMESS Input File | gam gamint inp |
| Gaussian Cartensian file | gcart |
| Gaussian Input file | gau |
| GROMOS96 (A) file | gr96A |
| GROMOS96 (nm) file | gr96N |
| HyperChem HIN file | hin |
| Jaguar Input file | jin |
| OpenEye Binary file | bin |
| MacroModel File | mmd mmod out dat |
| MDL Isis SDF file | sdf sd |
| MDL Molfile file | mdl mol |
| MOPAC Cartensian file | mopcrt |
| MSI BGF file | bgf |
| MSI Quanta CSR file | csr |
| NWChem Input file | nw |
| PDB file | pdb |
| Report file | report |
| QChem Input file | qcin |
| SMILES file | smi |
| SMILES Fix file | fix |
| Sybyl Mol2 file | mol2 |
| Tinker XYZ file | txyz |
| Titles file | txt |
| UniChem XYZ file | unixyz |
| ViewMol file | vmol |
| XED file | xed |
| XYZ file | xyz |