Computer program simulation of protein structure and theory of mechanic force for protein folding II

摘要

In the previous paper, we have worked out the calculation of the coordinates of the atoms in polypep-tide chain, and the mathematical procedures for computing the coordinates of atoms of the alpha helices and 3~(10) helices, based on the deterministic theory of atomic structure. In this paper, we work out the computer programs to carry out the calculation and the computer graphics of the primary structure and the secondary helix structure of proteins. We elaborate on the arguments for theory of mechanic force for protein folding into a secondary and tertiary structure. We also work out the rotation and the calculation in computer graphic program to orient the computer generated helix segment to coincide with the helix segment in the tertiary structure of proteins based on experiment. We need only the coordinates of two proper points in the helix segment from the experiment to orient the computer generated helix segment.