Calculation of coordinates from incomplete and incorrect distance data (Q1086189)
From MaRDI portal
!
This is the item page for this Wikibase entity, intended for internal use and editing purposes. Please use the normal view instead:
scientific article; zbMATH DE number 3982972
| Language | Label | Description | Also known as |
|---|---|---|---|
| default for all languages | No label defined |
||
| English | Calculation of coordinates from incomplete and incorrect distance data |
scientific article; zbMATH DE number 3982972 |
Statements
Calculation of coordinates from incomplete and incorrect distance data (English)
0 references
1987
0 references
A method has been developed to calculate cartesian coordinates from distances by means of a metric matrix. In contrast to usual methods it requires a minimum of four lines of the distance matrix, i.e. a fraction 8/N of all possible distances when applied to a three-dimensional structure. The factorization of the metric matrix is performed with a stable modified Gauss algorithm. The amount of storage and computing time depends linearly on the number of particles considered. Numerical results were obtained for a system of 58 atoms of a protein and compared with the results from other methods.
0 references
distance geometry
0 references
nuclear magnetic resonance
0 references
NMR
0 references
protein conformations
0 references
cartesian coordinates from distances
0 references
metric matrix
0 references
stable modified Gauss algorithm
0 references
0.7395521402359009
0 references
0.7395521402359009
0 references
0.7330180406570435
0 references
0.7234966158866882
0 references
