Biopolymers and cell. 1993. Volume 9. № 5. 66 - 72

EGORENKOV A. I., KOROL V. V.

The Package of Applied the Programs for the Studying of the Potential Energy Surface Topology Corresponding to the Conformation Dynamics of DNA Molecule

Summary

    The package of applied programs «Topology» specially designed visual (graphical) investigations of the potential energy surface topology corresponding to the conformational dynamics of the internal movements of DNA molecule is described. The package is used to analyse the data of the analytical simulation DNA torsion dynamics. Possibilities of the program to solve problems of numerical simulation of DNA dynamics by the method of atom-atomic potentials are discussed. The program has an adaptable user interface and it uses modern algorithms of three-dimensional graphic (surfaces and isolayers maps construction, dynamic mapping). The program has been realized for the IBM PC AT/XT personal computer, C being the programming language.