perform measurements on clusters of rigid bodies
Methods
align(coords1, coords2) | align the rotations so that the atomistic coordinates will be in best alignment |
find_permutation(X1, X2) | find the rotation which minimizes the distance between the structures |
find_rotation(X1, X2) | find the rotation which minimizes the distance between the structures |
get_com(X) | return the center of mass |
get_dist(x1, x2) | compute the distance between two configurations |