mdtraj.asphericity¶
- mdtraj.asphericity(traj)[source]¶
Compute the asphericity of a trajectory.
For each frame compute the principal moments then,
\[b =\]rac{1}{2}(lambda_1^2 + lambda_2^2)
- Parameters:
traj (Trajectory) – Trajectory to compute gyration tensor of.
- Returns:
b – Asphericity of each frame of the trajectory.
- Return type:
np.ndarray, shape=(traj.n_frames, 1), dtype=float64