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:
traj (Trajectory) – Trajectory to compute gyration tensor of.
- Returns:
c – Relative shape anisotropy of each frame of the trajectory.
- Return type:
np.ndarray, shape=(traj.n_frames, 1), dtype=float64