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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
- Planarity Restraints
Xplor-NIH 2024-09-13