Acta Crystallogr A. 1990 Jul 1;46 ( Pt 7):625-6.

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

Source

Department of Molecular Biology, Research Institute of Scripps Clinic, La Jolla, CA 92037.

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.

PMID:: 2206485; [PubMed - indexed for MEDLINE]

Publication Types, MeSH Terms, Substances, Grant Support

Publication Types

Research Support, U.S. Gov't, P.H.S.

MeSH Terms

Substances

Proteins

Grant Support

T32NS07078/NS/NINDS NIH HHS/United States

LinkOut - more resources

Other Literature Sources

COS Scholar Universe

Supplemental Content

Save items

Related citations in PubMed

Determining crystalline atomic positions using XAFS, a new addition to the UWXAFS analysis package. [J Synchrotron Radiat. 2001]
Determining crystalline atomic positions using XAFS, a new addition to the UWXAFS analysis package.
Kelly SD, Stern EA, Ingalls R. J Synchrotron Radiat. 2001 Mar 1; 8(Pt 2):311-3.
Direct calculation of atomic coordinates from diffraction intensities: space group P1. [Proc Natl Acad Sci U S A. 1991]
Direct calculation of atomic coordinates from diffraction intensities: space group P1.
Karle J. Proc Natl Acad Sci U S A. 1991 Nov 15; 88(22):10099-103.
Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA. [J Mol Biol. 2002]
Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA.
Herrmann T, Güntert P, Wüthrich K. J Mol Biol. 2002 May 24; 319(1):209-27.
Review Brilliant opportunities across the spectrum. [Phys Chem Chem Phys. 2006]
Review Brilliant opportunities across the spectrum.
Evans J. Phys Chem Chem Phys. 2006 Jul 14; 8(26):3045-58. Epub 2006 May 24.
Review Taking X-ray diffraction to the limit: macromolecular structures from femtosecond X-ray pulses and diffraction microscopy of cells with synchrotron radiation. [Annu Rev Biophys Biomol Struct...]
Review Taking X-ray diffraction to the limit: macromolecular structures from femtosecond X-ray pulses and diffraction microscopy of cells with synchrotron radiation.
Miao J, Chapman HN, Kirz J, Sayre D, Hodgson KO. Annu Rev Biophys Biomol Struct. 2004; 33:157-76.

See reviews... See all...

Cited by 2 PubMed Central articles

Comparisons of experimental and computed protein anisotropic temperature factors. [Proteins. 2009]
Comparisons of experimental and computed protein anisotropic temperature factors.
Yang L, Song G, Jernigan RL. Proteins. 2009 Jul; 76(1):164-75.
vGNM: a better model for understanding the dynamics of proteins in crystals. [J Mol Biol. 2007]
vGNM: a better model for understanding the dynamics of proteins in crystals.
Song G, Jernigan RL. J Mol Biol. 2007 Jun 8; 369(3):880-93. Epub 2007 Mar 28.

Related information

Related Citations
Calculated set of PubMed citations closely related to the selected article(s) retrieved using a word weight algorithm. Related articles are displayed in ranked order from most to least relevant, with the “linked from” citation displayed first.
Substance (MeSH Keyword)
PubChem chemical substance (submitted) records that are classified under the same Medical Subject Headings (MeSH) controlled vocabulary as the current articles.
Cited in PMC
Full-text articles in the PubMed Central Database that cite the current articles.

Recent activity

Clear Turn Off Turn On

Determination of the correct reference frame from an atomic coordinate list.
Determination of the correct reference frame from an atomic coordinate list.
Acta Crystallogr A. 1990 Jul 1 ;46 ( Pt 7):625-6.

PubMed
Hearing preservation surgery in acoustic neuroma. Slow progress and new strategi...
Hearing preservation surgery in acoustic neuroma. Slow progress and new strategies.
Acta Otorhinolaryngol Ital. 2011 Apr ;31(2):76-84.

PubMed
Endocrine and bone metabolic complications in chronic liver disease and after li...
Endocrine and bone metabolic complications in chronic liver disease and after liver transplantation in children.
J Pediatr Gastroenterol Nutr. 2012 Mar ;54(3):313-21.

PubMed
Galectin-1-specific inhibitors as a new class of compounds to treat HIV-1 infect...
Galectin-1-specific inhibitors as a new class of compounds to treat HIV-1 infection.
Antimicrob Agents Chemother. 2012 Jan ;56(1):154-62. Epub 2011 Nov 7 .

PubMed
TIN2 stability is regulated by the E3 ligase Siah2.
TIN2 stability is regulated by the E3 ligase Siah2.
Mol Cell Biol. 2012 Jan ;32(2):376-84. Epub 2011 Nov 7 .

PubMed

Your browsing activity is empty.

Activity recording is turned off.

Turn recording back on

PubMed

Result Filters

Display Settings:

Send to: