| 摘要 |
PURPOSE:To quickly predict and determine structure close to natural structure by automating a part for setting up and updating a mutually interacting range and optimizing energy. CONSTITUTION:A simulation condition is inputted, the two-face angles of parts having the primary structure and secondary structure of a protein are inputted, the initial two-face angle is inputted to a random coil of the protein so as to obtain extended structure at first, and an updatable mutually interacting range is set up. Under the set condition, energy optimization is executed by using simulated annealing, and after checking that the mutually affected range is equal to the total number of residues of the protein, simulation is executed only by prescribed trial frequency and a two-face angle for predicted structure is outputted. Consequently structure close to natural structure can be quickly predicted and determined. |
