File ObjectsΒΆ

The MDTraj trajectory file objects provide a low-level interface to each of the supported trajectory formats. The high level interface is provided by the mdtraj.load() function.

AmberNetCDFRestartFile(filename[, mode, ...]) Interface for reading and writing AMBER NetCDF files.
AmberRestartFile(filename[, mode, ...]) Interface for reading and writing AMBER ASCII restart files.
ArcTrajectoryFile(filename[, mode, ...]) Interface for reading and writing to an TINKER archive files.
BINPOSTrajectoryFile Interface for reading and writing to an AMBER BINPOS file.
DCDTrajectoryFile Interface for reading and writing to a CHARMM/NAMD DCD file.
DTRTrajectoryFile Interface for reading and writing to a DESMOND dtr file.
GroTrajectoryFile(filename[, mode, ...]) Interface for reading and writing to GROMACS GRO files.
HDF5TrajectoryFile(filename[, mode, ...]) Interface for reading and writing to a MDTraj HDF5 molecular dynamics trajectory file, whose format is described here.
LAMMPSTrajectoryFile(filename[, mode, ...]) Interface for reading and writing to a LAMMPS lammpstrj files.
LH5TrajectoryFile(filename[, mode, ...]) Interface for reading and writing to a MSMBuilder2 “LH5” molecular dynamics trajectory file, a deprecated format.
MDCRDTrajectoryFile(filename[, n_atoms, ...]) Interface for reading and writing to an AMBER mdcrd files.
NetCDFTrajectoryFile(filename[, mode, ...]) Interface for reading and writing to AMBER NetCDF files.
PDBTrajectoryFile(filename[, mode, ...]) Interface for reading and writing Protein Data Bank (PDB) files
TRRTrajectoryFile Interface for reading and writing to a GROMACS TRR file.
XTCTrajectoryFile Interface for reading and writing to a GROMACS XTC file.
XYZTrajectoryFile(filename[, mode, ...]) Interface for reading and writing to xyz files.
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