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Positional Refinement
The following examples illustrate how positional refinement
can be carried out using X-PLOR. Both conventional
refinement (conjugate
gradient minimization) and
refinement by simulated annealing are discussed.
Subsections
- Check of Data and Initial Structure and Determination of Weights
- Conventional Positional Refinement
- Crystallographic Refinement by Simulated Annealing
- Rigid-Body Refinement
Xplor-NIH 2024-09-13