Chapter 11: Substructure Determination in Isomorphous Replacement and Anomalous Diffraction Experiments
Ralf W. Grosse-Kunstleve & Thomas R. Schneider
The determination of the substructure of heavy atoms or anomalous scatterers is a central step in experimental-phasing procedures. We give an overview of commonly used methods for substructure determination, including estimation of substructure structure factors, Patterson methods, direct methods, dual-space recycling procedures, and methods for substructure refinement and completion. This chapter also includes an annotated list of available program packages.