Format referenceΒΆ
- chemfiles (chemfiles Trajectory or file)
- CONFIG (DL_Poly Config)
- HISTORY (DL_Poly Config)
- COOR, NAMBDIN (NAMD binary restart files)
- CRD (CHARMM CARD files)
- DATA (LAMMPS)
- DCD (CHARMM, NAMD, or LAMMPS trajectory)
- DCD (Flexible LAMMPS trajectory)
- DMS (Desmond Molecular Structure files)
- GMS (Gamess trajectory)
- GRO (GROMACS structure file)
- GSD (HOOMD GSD file)
- IN, FHIAIMS (FHI-aims input files)
- INPCRD, RESTRT (AMBER restart files)
- ITP (GROMACS portable topology files)
- LAMMPSDUMP (LAMMPS ascii dump file)
- MMTF (Macromolecular Transmission Format)
- MOL2 (Tripos structure)
- NCDF, NC (AMBER NetCDF trajectory)
- ParmEd (ParmEd Structure)
- PDB, ENT (Standard PDB file)
- PDBQT (Autodock structure)
- PQR file (PDB2PQR / APBS)
- PSF (CHARMM, NAMD, or XPLOR protein structure file)
- TOP, PRMTOP, PARM7 (AMBER topology)
- TPR (GROMACS run topology files)
- TRJ, MDCRD, CRDBOX (AMBER ASCII trajectory)
- TRR (GROMACS lossless trajectory file)
- TRZ (IBIsCO and YASP trajectory)
- TXYZ, ARC (Tinker)
- XML (HOOMD)
- XPDB (Extended PDB file)
- XTC (GROMACS compressed trajectory file)
- XYZ trajectory