International Tables for Crystallography (2006). Vol. C, ch. 8.3, pp. 694-701
doi: 10.1107/97809553602060000611

Chapter 8.3. Constraints and restraints in refinement

Contents

  • 8.3. Constraints and restraints in refinement  (pp. 694-701) | html | pdf | chapter contents |
    • 8.3.1. Constrained models  (pp. 693-698) | html | pdf |
      • 8.3.1.1. Lagrange undetermined multipliers  (p. 693) | html | pdf |
      • 8.3.1.2. Direct application of constraints  (pp. 693-698) | html | pdf |
    • 8.3.2. Stereochemically restrained least-squares refinement  (pp. 698-701) | html | pdf |
      • 8.3.2.1. Stereochemical constraints as observational equations  (pp. 698-701) | html | pdf |
    • References | html | pdf |
    • Tables
      • Table 8.3.1.1. Symmetry conditions for second-cumulant tensors  (pp. 695-696) | html | pdf |
      • Table 8.3.2.1. Coordinates of atoms (in Å) in standard groups appearing in polypeptides and proteins  (pp. 699-700) | html | pdf |
      • Table 8.3.2.2. Ideal values for distances (Å), torsion angles (°), etc . for a glycine–alanine dipeptide with a trans peptide bond  (p. 700) | html | pdf |
      • Table 8.3.2.3. Typical values of standard deviations for use in determining weights in restrained refinement of protein structures  (p. 701) | html | pdf |