A list of formats currently supported by Aten follows as well as the file extensions and assigned filter IDs. Remember, adding support for other codes and formats is in your hands with Aten’s filters system.

Model Formats

Format Extension(s) Nickname ID R/W Notes
Aten Keyword Format *.akf akf 1 RW Plain-text format used by Aten
Cambridge Structural Database Service *.dat *.fdat csd 7 RO
Chem3D Cartesian Coordinates *.cc1 *.cc2 cc 34 RO
Crystallographic Information File *.cif cif 8 RO
DL_POLY Configuration *CONFIG *REVCON dlpoly 2 RW
EPSR ATO Files *.ato ato 18 RW
GAMESS-US Output (Log *.log gamuslog 11 RO
GAMESS-US Input File *.inp gamusinp 5 RW Cartesian coordinates and Z-Matrices
Gaussian Input File *.gjf gjf 17 WO Cartesian coordinates and Z-Matrices
Gromacs Configuration *.gro gro 14 RW
Mopac Archive File *.arc arc 16 RO
Mopac Control File *.mop mop 4 RW Including periodic systems. Cartesian coordinates only
MDL Molfile *.mol mol 10 RO
MSI (Cerius2) Model File *.msi msi 12 RO
Protein Databank (PDB *.pdb pdb 13 RO
Quantum Espresso *.in in 15 RW
SIESTA Flexible Data Format *.fdf siesta 9 RW
Tripos Sybyl Mol2 *.mol2 mol2 6 RW
XMol XYZ *.xyz xyz 3 RW

Trajectory Formats

Format Extension(s) Nickname Notes
DL_POLY Formatted & Unformatted Trajectories HISu HISf HISTORY dlpoly
GAMESS-US Trj File *.trj trj QM atoms in MD and IRC runs
PDB Trajectory (Multiple PDB file *.pdb pdb
Siesta XV *.XV xv
XYZ Trajectory (Multiple XYZ file *.xyz xyz

Grid Data Formats

Format Extension(s) Nickname ID Notes
Gaussian Cube *.cube cube 1 Also exists as importmodel filter
Probability density *.pdens pdens 2 Simple 3D volumetric data format
Surface *.surf surf 3 Simple 2D surface data format

Expression Data Formats

Format Extension(s Nickname ID Read Write Notes
DL_POLY FIELD file *.FIELD FIELD dlpoly 1 no yes
Gromacs RTP file *.rtp rtp no yes Preliminary version
Gromacs TOP file *.top top 14 no yes