Computer simulated modeling of biomolecular systems.
This paper describes the algorithm of a program used to simulate three dimensional models of molecules. In addition to open ended molecules the program also enables simulation of structures with constraints in the form of cyclic regions or fixed location of particular atoms. Several molecules can be handled in a single run and each molecule can have any number of contraints. Further, any number of conformations can be obtained for each constrained region. The program can be used for research in several areas of molecular biology, e.g., structure determination, conformational analysis and topographic comparisons.
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003201:Computers; D008956:Models, Chemical; D008958:Models, Molecular; D008961:Models, Structural; D008967:Molecular Biology