helixmc.util.coords2params¶

helixmc.util.coords2params(o2, R2)¶

Convert bp-center coordinates and rotation matrix to base-pair step parameters. The frame of bp1 is used as reference ( o1 = [0 0 0] and R1 = np.eye(3) )

Parameters:

o2 : ndarray, shape (N,3)

Coordiantes for the bp-centers of the 2nd base-pair.

R2 : ndarray, shape (N,3,3)

Rotational matrix for the transformation.

Returns:

Base-pair step parameters.

Distance in unit of Å, angle in unit of radians. Order = [Shift, Slide, Rise, Tilt, Roll, Twist]