helixmc.util.params2data¶

helixmc.util.params2data(params, frame0=None)¶

Convert step parameters to delta-r vectors and frames.

Parameters:

params : ndarray, shape (N,6)

Input base-pair step parameters. Order = [Shift, Slide, Rise, Tilt, Roll, Twist] Distance in unit of Å, angle in unit of radians.

frame0 : ndarray, shape (3,3), optional

The frame for the 1st base-pair. Default set to np.eye(3).

Returns:

dr : ndarray, shape (N,3)

Delta-r vectors (dr[i] = r[i+1] - r[i]).

frames : ndarray, shape (N+1,3,3)

Frame of each base-pair.