msmbuilder.Trajectory.Trajectory.load_from_hdf

classmethod Trajectory.load_from_hdf(TrajFilename, JustInspect=False, Stride=None, AtomIndices=None, ChunkSize=50000)[source]

Method to load a trajectory which was saved as HDF

Inputs: - TrajFilename: Filename to find the trajectory - JustInspect [False]: If True, then the method returns the shape of the

XYZList stored on disk
  • Stride [None]: Integer number of frames to subsample the trajectory

  • AtomIndices [None]: np.ndarray of atom indices to read in (0-indexed)

  • ChunkSize [100000]: Integer number of frames to read in a chunk
    NOTE: ChunkSize will change in order to be a multiple of the input Stride

    This is necessary in order to make sure the Stride and chunks line up

Outputs: - A: Trajectory instance read from disk