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Conjugate Direction Minimization:
An Improved Method for the Refinement of Macromolecules.
Dale. E. Tronrud
Howard Hughes Medical Institute
and
Institute of Molecular Biology
University of Oregon
Eugene, OR 97403
Submitted August 21, 1991
Revised April 23, 1992
Abstract:
A novel method of function minimization which 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 which are commonly used in macromolecular refinement.
The weaknesses of the current methods are analyzed to explain the advantage
of the conjugate direction method.
Dale Edwin Tronrud
Thu Nov 20 10:28:11 PST 1997