title: The graduation of secondary structure elements.
abstract: A method of graduating (i.e., least-squares fitting) a smooth polynomial curve through long elements of protein secondary structure is described. It uses the Chebyshev polynomials of a discrete (integer) variable with several restraints to prevent artifactual curvatures. A new recursion formula is given which allows the evaluation of the polynomials on rational-number points as well as on the integer points. High-order splines suitable for interpolation between integer points are also discussed. The new method finds applications in graphics and in structural analysis.
authors.affiliation: European Molecular Biology Laboratory, Heidelberg, Germany.
authors.forename: D J
authors.initials: DJ
authors.lastname: Thomas
mesh_terms: D003196:Computer Graphics; D003198:Computer Simulation; D005418:Flavodoxin / Q000737:chemistry; D008432:Mathematical Computing; D008958:Models, Molecular; D017433:Protein Structure, Secondary
chemical_list: D005418:Flavodoxin