Anisotropic refinement: Difference between revisions
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==Some records that include ANISOU records== | ==Some records that include ANISOU records== | ||
[[3kg2]] | * [[3kg2]] | ||
==Related== | ==Related== | ||
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==See Also== | ==See Also== | ||
[[Temperature value]] | [[Temperature value]] | ||
[[Quality assessment for molecular models]] | |||
==References== | ==References== | ||
<ref group="xtra">PMID: 10329772</ref><references group="xtra"/><ref group="xtra">PMID: 10666575</ref><references group="xtra"/><ref group="xtra">PMID: 15809496</ref><references group="xtra"/> | <ref group="xtra">PMID: 10329772</ref><references group="xtra"/><ref group="xtra">PMID: 10666575</ref><references group="xtra"/><ref group="xtra">PMID: 15809496</ref><references group="xtra"/> | ||
Revision as of 06:37, 10 July 2010
Anisotropic refinement is included among the strategies for macromolecular refinement.
AnalysisAnalysis
PARVATI - Protein Anisotropic Refinement Validation and Analysis Tool. The PARVATI server accepts a PDB file containing ANISOU records or TLS records.
The PARVATI server accepts a PDB file containing ANISOU records or TLS records.
ANISOU recordsANISOU records
- The ANISOU records present the anisotropic temperature factors.
- The anisotropic temperature factors (columns 29 - 70) are scaled by a factor of 10**4 (Angstroms**2) and are presented as integers.
- The anisotropic temperature factors are stored in the same coordinate frame as the atomic coordinate records.
- ANISOU values are listed only if they have been provided by the depositor. The depositor provides ANISOU records, PDB verifies their format.
- The anisotropic temperature factors are related to the corresponding ATOM/HETATM isotropic temperature factors as B(eq), as described in the ATOM and HETATM sections.
Some records that include ANISOU recordsSome records that include ANISOU records
RelatedRelated
TLSView: A Molecular Viewer for TLS Rigid Body Motion
See AlsoSee Also
Temperature value Quality assessment for molecular models
ReferencesReferences
- ↑ Painter J, Merritt EA. A molecular viewer for the analysis of TLS rigid-body motion in macromolecules. Acta Crystallogr D Biol Crystallogr. 2005 Apr;61(Pt 4):465-71. Epub 2005, Mar 24. PMID:15809496 doi:10.1107/S0907444905001897