Jmol/JSmolがサポートしているファイルフォーマット
現在のところ、下記の種類のファイルの読み込みがサポートされています。
| ADF | Amsterdam Density Functional output file |
| AIMS | Ab initio molecular simulations based on local orbitals |
| AFLOW | AFLOW binary alloy files | AMPAC | Texas A&M University Package |
| Argus(XML) | ArgusLab AGL file |
| Bilbao(BCS) | Bilbao Crystallographic Server file format |
| CGD | Gavrog Systre Crystal Graph Data file format |
| Chem3D(XML) | CambridgeSoft Chem3D C3XML file |
| CASTEP | CASTEP file format |
| CIF | International Union of Crystallography Crystallographic Information File,
including Macromolecular Crystallographic Information file (mmCif) |
| CML(XML) | Chemical Markup Language file |
| CRYSTAL | Crystal09 solid state computation output |
| CSF | 富士通 Sygress Explorer (formerly CAChe) chemical structure file |
| CUBE | Gaussian cubegen output file |
| DCD | single precision binary DCD trajectory files |
| DGRID | DGRID file |
| FCHK | Gaussian formatted check-point file format |
| FoldingXYZ | XYZ file created by the Folding@home project |
| GAMESS | General Atomic and Molecular Electronic Structure System output file |
| Gaussian | Gaussian output file |
| GhemicalMM | Ghemical molecular mechanics file (MM1GP) |
| GRO | GROMACS .gro file format |
| GULP | GULP file format |
| HIN | HyperChem native file |
| Jaguar | National Center for Supercomputing Applications Jaguar output file |
| JCAMP-DX | JCAMP-DX files |
| JME | Java Molecular Editor file format (2D format) |
| JSON | JavaScript Object Notation-formatted data |
| MAGRES | Magres files |
| MDTOP, MDCRD | AMBER Molecular dynamics topology files and associated coordinate files. |
| MOL, MOL2 | Symyx (formerly Molecular Design) structure data files, including SDF and CTAB V2000 files |
| MOLDEN | Molden data file |
| MOLPRO(XML) | Molpro structure file |
| Mopac | OpenMopac output file (MOPOUT) |
| MopacGraphF | OpenMopac GRAPHF output file (for molecular orbitals) |
| NWCHEM | Pacific Northwest National Laboratory NWChem output file |
| Odyssey | WaveFunction Odyssey data file (ODYDATA) |
| Odyssey(XML) | WaveFunction Odyssey XODYDATA file |
| P2N | R.E.D. input files |
| PDB | Protein Data Bank file |
| PQR | Position/Charge/Radius data file produced by the Adaptive Poisson-Boltzmann Solver project |
| PSI | PSI3 output reader (座標のみ) |
| PyMOL PSE | PyMOL session files |
| QCHEM | Q-Chem output file |
| SHELX | SHELX output file |
| SMILES | Simplified Molecular Input Line Entry Specification |
| Spartan | WaveFunction Spartan data file |
| SpartanSmol | WaveFunction binary Spartan SMOL data file, including full MacSpartan Spartan directories in ZIP format |
| Tinker | Tinker files |
| V3000 | Symyx (formerly Molecular Design) V3000 Connection Table (CTAB or SDF) data file |
| VASP | The Vienna Ab initio simulation package |
| WebMO | WebMO molecular orbital file reader |
| Wien2k | Wien2k data files. |
| XYZ | Minnesota Supercomputer Institute XMol file |
| XYZ+vib | XYZ format files with added vibrational vector information |
