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