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PMID: 2206485 Published · ppublish English Journal Article Research Support, U.S. Gov't, P.H.S.

Determination of the correct reference frame from an atomic coordinate list.

Acta crystallographica. Section A, Foundations of crystallography ·Vol. 46 ( Pt 7) ·1990-07-01 ·Pages 625-6

Yeates TO

Abstract

A simple method is described for determining the reference coordinate system of a list of atomic coordinates. The reference system is characterized by finding the optimal metric tensor on the basis of the expected bond lengths. The ability to identify the correct frame of reference is important for structures solved in non-orthogonal unit cells.

MeSH Terms
Molecular Structure Proteins Reference Values Software X-Ray Diffraction/methods
Chemicals
Proteins
Authors & Affiliations
1 authors, click to expand affiliations / ORCID
Yeates T O
Department of Molecular Biology, Research Institute of Scripps Clinic, La Jolla, CA 92037.
Article Info
Journal
Acta crystallographica. Section A, Foundations of crystallography
Abbr.
Acta Crystallogr A
ISSN
0108-7673
DOI
10.1107/s0108767390002793
Published
1990-07-01
Pages
625-6
Language
English
Region
United States
NLM ID
8305825
Subset
IM
Grants
NINDS NIH HHS · T32NS07078 · United States
External Links
PubMed source DOI: 10.1107/s0108767390002793
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