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On Minimization Targets and Algorithms

Dale Tronrud
Howard Hughes Medical Institute, Institute of Molecular Biology,
University of Oregon, Eugene, OR 97403, USA.

The process of refinement is a large problem in function minimization. So large, in fact, that even the computers of today cannot perform the calculations to properly fit our data. Each of the refinement packages currently under development reduce the difficulty of this problem by utilizing a unique combination of targets, assumptions, and optimization methods.

This talk will contain a review of the basic mathematical methods used in refinement. Notice will be given to the assumptions and simplifications made in the commonly used refinement packages. This information should prove useful when you are selecting a refinement package for your project.