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Metric Matrix Distance Geometry
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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
Syntax
Requirements
Output
Implementation of Distance Geometry
Input Distances
Pseudoatoms
Bound Smoothing
Embedding
Scaling
Metrization
Test for the Correct Enantiomer
Regularization
CPU and Memory Requirements
Xplor-NIH 2013-06-06