mdtraj.principal_moments¶
- mdtraj.principal_moments(traj)[source]¶
Compute the principal moments of a trajectory.
For each frame calculate the eigenvalues of the gyration tensor.
- Parameters:
traj (Trajectory) – Trajectory to compute gyration tensor of.
- Returns:
evecs – Principal moments for each frame in ascending order.
- Return type:
np.ndarray, shape=(traj.n_frames, 3), dtype=float64