Conjugate-direction minimization: an improved method for the refinement of macromolecules.
A novel method of function minimization that combines the power of the diagonal approximation to the normal matrix with conjugate directions is described. This method approaches closer to the local minimum than the methods that are commonly used in macromolecular refinement. The weakness of the current methods are analyzed to explain the advantage of the conjugate-direction method.
Tronrud
D E
DE
Howard Hughes Medical Institute, Eugene, OR.
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003198:Computer Simulation; D046911:Macromolecular Substances; D008433:Mathematics; D008958:Models, Molecular; D014961:X-Ray Diffraction
D046911:Macromolecular Substances