Coordinates
File type |
Description |
Velocities |
Forces |
---|---|---|---|
Tinker file |
|||
use readers from chemfiles library |
|||
DL_Poly CONFIG file |
✓ |
||
NAMD binary restart file |
|||
CHARMM CARD file |
|||
AMBER ASCII trajectories |
|||
LAMMPS data file |
✓ |
||
CHARMM, NAMD, or LAMMPS binary trajectory |
|||
DESRES Molecular Structure file |
✓ |
||
Standard PDB file |
|||
FHI-aims input file |
✓ |
||
GAMESS file |
|||
GROMACS structure file |
✓ |
||
HOOMD GSD file |
|||
H5MD |
H5MD trajectory format |
||
DL_Poly HISTORY file |
✓ |
||
FHI-aims input file |
✓ |
||
AMBER restart file |
|||
a LAMMPS DCD trajectory |
|||
LAMMPS ascii dump file |
|||
AMBER ASCII trajectories |
|||
MMTF file |
|||
Tripos MOL2 file |
|||
NAMD binary restart file |
|||
AMBER NETCDF format |
✓ |
✓ |
|
AMBER NETCDF format |
✓ |
✓ |
|
OPENMMAPP |
OpenMM Application layer objects |
||
OPENMMSIMULATION |
OpenMM Simulation objects |
✓ |
✓ |
ParmEd Structure |
|||
Standard PDB file |
|||
PDBQT file |
|||
PQR file |
|||
RDKIT |
RDKit Molecule |
||
AMBER restart file |
|||
Trajectory Next Generation file |
✓ |
✓ |
|
TRC |
GROMOS11 trajectory file |
||
AMBER ASCII trajectories |
|||
GROMACS TRR trajectory |
✓ |
✓ |
|
IBIsCO or YASP binary trajectory |
✓ |
||
Tinker file |
|||
Extended PDB file |
|||
GROMACS compressed trajectory |
|||
XYZ file |