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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: Fixing Atomic Positions Up: XPLOR Interface Manual Previous: Example


Coordinate Constraints

This section deals with constraining certain coordinates. Constraints can be imposed as rigid distance requirements using the SHAKE algorithm or as fixed atomic positions.

Subsections
  • Fixing Atomic Positions
    • Syntax
    • Requirements
    • Example

  • Fixing Distances
    • Syntax
    • Requirements
    • Example


Xplor-NIH 2025-03-21
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