Abstract

A continuous helix is described by five parameters: helix axis (with three components), helix radius, and helix pitch. Moreover, number of data points (amino acids for proteins or bases for DNA) per turn (n) and handedness (h) are important parameters. HELFIT is a program that enables to calculate simultaneously all these helix parameters with high accuracy using total least squares method. The minimum number of data points required for the analysis is only four. HELFIT is very insensitive to noise even in short helices and also calculate a parameter, p = rmsd / (N - 1)1/2, which estimates the regularity of helical structures independent of the number of data points, where rmsd is the root mean square distance from the best-fit helix to data points and N is the number of data points.

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