load_functions.rst

Trajectory Reference

Loading molecular dynamics trajectories is easy with MDTraj.

>>> import mdtraj as md
>>> t = md.load('trajectory.pdb')

The function :func:`mdtraj.load` will automatically detect the appropriate format based on the filename extension. The supported formats are all listed below in the format-specific loaders. The return value of :func:`mdtraj.load` is an :class:`mdtraj.Trajectory` object.

While :func:`mdtraj.load` will read an entire trajectory into memory, other functions like :func:`mdtraj.iterload` and :func:`mdtraj.open` are available for working with trajectories in chunks, without loading them entirely into memory all at once.

Internal representation

.. currentmodule:: mdtraj

.. autosummary::
    :toctree: api/generated/

    Trajectory
    Topology

Format-agnostic loading functions

.. currentmodule:: mdtraj

.. autosummary::
    :toctree: api/generated/

    load
    iterload
    load_frame
    open
    join

Format-specific loading functions

.. autosummary::
    :toctree: api/generated/

    load_lh5
    load_pdb
    load_xml
    load_arc
    load_dcd
    load_dtr
    load_hdf5
    load_netcdf
    load_trr
    load_xtc
    load_prmtop
    load_xyz
    load_lammpstrj
    load_hoomdxml