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NIH: National Institute of Diabetes and Digestive and Kidney Diseases NIH: National Institute of Diabetes and Digestive and Kidney Diseases

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Next: Harmonic Coordinate Restraints Up: XPLOR Interface Manual Previous: Example


Coordinate Restraints

This section deals with restraining certain Cartesian or internal coordinates. Restraints that are discussed here can be imposed as atomic rms differences to another coordinate set or as dihedral angle differences. (Non-crystallographic symmetry restraints are discussed in Chapter 18. Distance restraints are discussed in Chapter 20.)



Subsections
  • Harmonic Coordinate Restraints
    • Point Restraints
    • Plane Restraints
    • Syntax
    • Requirements
    • Example: Point Restraints
    • Example: Plane and Point Restraints

  • Dihedral Angle Restraints
    • Syntax
    • Requirements
    • Example

  • Planarity Restraints
    • Syntax
    • Requirements
    • Example


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