mdtraj.relative_shape_antisotropy

mdtraj.relative_shape_antisotropy(traj)

Compute the relative shape anisotropy of a trajectory.

For each frame compute the principal moments then,

\[\kappa^2 = \]

rac{3}{2} rac{lambda_1^4 + lambda_2^4 + lambda_3^4}{(lambda_1^2 + lambda_2^2 + lambda_3^2)^2} - rac{1}{2}

Parameters

trajTrajectory

Trajectory to compute gyration tensor of.

Returns

c: np.ndarray, shape=(traj.n_frames, 1), dtype=float64

Relative shape anisotropy of each frame of the trajectory.