- 1.7
- 1.6
- 1.5
- Beta
- Examples (for 1.6a)
- Misc
Table of Contents
A list of formats currently supported by Aten follows as well as the file extensions and assigned filter ID. Remember, adding support for other codes is in your hands with Aten's filters system.
Table 4.1. Supported Model Formats
| Format | Extension(s) | Nickname | ID | Read? | Write? | Notes |
|---|---|---|---|---|---|---|
| Aten Keyword Format | *.akf | akf | 1 | Yes | Yes | Plain-text format used by Aten |
| Cambridge Structural Database Service | *.dat|*.fdat | csd | 7 | yes | no | |
| Crystallographic Information File | *.cif | cif | 8 | yes | no | |
| DL_POLY Configuration | *CONFIG | *REVCON | dlpoly | 2 | yes | yes | |
| GAMESS-US Output (Log) | *.log | gamuslog | 10 | yes | no | |
| GAMESS-US Input | *.inp | gamusinp | 5 | yes | yes | Cartesian coordinates only. |
| Mopac Control File | *.mop | mop | 4 | yes | yes | Including periodic systems. Cartesian coordinates only. |
| MDL Molfile | *.mol | mol | 10 | yes | no | |
| MSI (Cerius2) Model File | *.msi | msi | 12 | yes | no | |
| Protein Databank (PDB) | *.pdb | pdb | 13 | yes | no | |
| SIESTA Flexible Data Format | *.fdf | siesta | 9 | yes | yes | |
| Tripos Sybyl Mol2 | *.mol2 | mol2 | 6 | yes | yes | |
| XMol XYZ | *.xyz | xyz | 3 | yes | yes |
Table 4.2. Supported Trajectory Formats
| Format | Extension(s) | Nickname | Notes |
|---|---|---|---|
| DL_POLY Formatted/Unformatted Trajectories | *HISu | *HISf | HISTORY | dlpoly | |
| XYZ Trajectory (Multiple XYZ file) | *.xyz | xyz |