helixmc.util.frames2params¶

helixmc.util.frames2params(o1, o2, f1, f2)¶

Convert bp coordinates and frames to step parameters.

Parameters:

o1 : ndarray, shape (N,3)

Origins for the bp-centers of the 1st base-pair.

o2 : ndarray, shape (N,3)

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

f1 : ndarray, shape (N,3,3)

Frames for the 1st base-pair.

f2 : ndarray, shape (N,3,3)

Frames for the 2nd base-pair.

Returns:

params : ndarray, shape (N,6)

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