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