Linked Life Data

10089417

Source:http://linkedlifedata.com/resource/pubmed/id/10089417

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
Pt 1
pubmed:dateCreated
1999-5-3
pubmed:abstractText
This paper gives the equations for the use of fast Fourier transformations in individual atomic anisotropic refinement. Restraints on bonded atoms, on the sphericity of each atom and between non-crystallographic symmetry related atoms are described. These have been implemented in the program REFMAC and its performance with several examples is analysed. All the tests show that anisotropic refinement not only reduces the R value and Rfree but also improves the fit to geometric targets, indicating that this parameterization is valuable for improving models derived from experimental data. The computer time taken is comparable to that for isotropic refinements.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jan
pubmed:issn
0907-4449
pubmed:author
pubmed:issnType
Print
pubmed:volume
55
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
247-55
pubmed:dateRevised
2007-7-24
pubmed:meshHeading
pubmed:year
1999
pubmed:articleTitle
Efficient anisotropic refinement of macromolecular structures using FFT.
pubmed:affiliation
Chemistry Department, University of York, Heslington, York YO1 5DD, England and CLRC, Daresbury Laboratory, Daresbury, Warrington WA4 4AD, England.garib@yorvic.york.ac.uk
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't