helixmc.util.data2params

helixmc.util.data2params(dr, frames)

Convert delta-r vectors and frames to step parameters.

Parameters:

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.

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]

See also

params2data

Convert step parameters to delta-r vectors and frames.