A simple way to calculate the axis of an -helix
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Abstract A simple method to quickly and accurately calculate the axis of an α-helix, by least squares fitting to a cylindrical surface, is presented. The method is well suited for the analysis of molecular dynamics (MD) trajectories of proteins, and some test results on a recent MD simulation are given.
[1] S. Rackovsky,et al. Differential Geometry and Polymer Conformation. 1. Comparison of Protein Conformations1a,b , 1978 .
[2] A. Mclachlan. Gene duplications in the structural evolution of chymotrypsin. , 1979, Journal of molecular biology.
[3] W F van Gunsteren,et al. A molecular dynamics study of the C-terminal fragment of the L7/L12 ribosomal protein. Secondary structure motion in a 150 picosecond trajectory. , 1985, Journal of molecular biology.