Part V
Simplifying Structural Models

23 Overview: Simplifying Models
24 Constraints
24.1 GSAS-II Parameter Naming
24.2 GSAS-II Constraint Types
24.3 Constraint and New Variable Processing
24.4 Typical Constraint Use
25 Restraints
25.1 Bond Distance Restraints
25.2 Angle Restraints
25.3 Plane Restraints
25.4 Chiral Restraints
25.5 Chemical Composition Restraints
25.6 Magnetic Moment Restraints
25.7 General Restraints
25.8 Choosing the Restraint Weighting
25.9 Testing Restraints
25.10 Restraints not provided by GSAS-II
26 Rigid Body Constraints
26.1 Vector Rigid Bodies
26.2 Residue Rigid Bodies
26.3 Rigid Body Axes and Origin
26.4 Defining Residue Rigid Body Examples
26.5 Inserting Rigid Bodies
26.6 Orienting Rigid Bodies: Quaternions
26.7 Rigid Bodies and Crystallographic Symmetry
26.8 Example: Inserting rigid bodies
26.9 TLS Displacement Parameters for Rigid Bodies