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Distance Geometry
This chapter describes how the structure of molecules can be determined
using metric matrix distance geometry.
For further reading, see Crippen and Havel (1988),
Kuszewski, Nilges, and Brünger (1992), and
Tarjan (1983).
Subsections
- Metric Matrix Distance Geometry
- Implementation of Distance Geometry
- Test for the Correct Enantiomer
- Regularization
- CPU and Memory Requirements
Xplor-NIH 2024-09-13