mdtraj.load_frame¶
- mdtraj.load_frame(filename, index, top=None, atom_indices=None, **kwargs)[source]¶
Load a single frame from a trajectory file
- Parameters:
filename (path-like) – 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).
Examples
>>> import mdtraj as md >>> first_frame = md.load_frame('traj.h5', 0) >>> print first_frame <mdtraj.Trajectory with 1 frames, 22 atoms>
See also
- Returns:
trajectory – The resulting conformation, as an md.Trajectory object containing a single frame.
- Return type:
md.Trajectory