mdtraj.load_frame

mdtraj.load_frame(filename, index, top=None, atom_indices=None)

Load a single frame from a trajectory file

Parameters:

filename : str

Path to the trajectory file on disk

index : int

Load the index-th frame from the specified file

top : {str, Trajectory, Topology}

Most trajectory formats do not contain topology information. Pass in either the path to a RCSB PDB file, a trajectory, or a topology to supply this information.

atom_indices : array_like, optional

If not none, then read only a subset of the atoms coordinates from the file. These indices are zero-based (not 1 based, as used by the PDB format).
Returns:

trajectory : md.Trajectory

The resulting conformation, as an md.Trajectory object containing a single frame.

See also

load, load_frame

Examples

>>> import mdtraj as md
>>> first_frame = md.load_frame('traj.h5', 0)
>>> print first_frame
<mdtraj.Trajectory with 1 frames, 22 atoms>
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