An introduction to stereochemical restraints

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A brief summary of the types of restraint defined in refinement dictionaries.

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Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix (2019, background): “Other restraints are imposed typically on bond angles, dihedrals, planes, chirality and coupling of atomic displacement parameters (ADPs) between bonded or neighboring atoms (Evans, 2007).”
An editor for the generation and customization of geometry restraints (2017, background): “Each of the restraints is assigned an ideal value and an estimated standard deviation to define the center and curvature of the parabolic function for calculating the residual and gradient of the restraint (for more details, see Evans, 2007).”
Conformation Dependence of Backbone Geometry in Proteins (2009, methodology): “This paradigm underlies the restraints used to guide protein structure refinement (e.g., Evans, 2007) and is also the basis of the rigid-geometry approximation used to simplify model building in the most successful structure-prediction packages such as Rosetta and I-TASSER (Rohl et al., 2004;…”