Anisotropic refinement

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==See Also==
==See Also==
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[[Temperature value]]
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*[[Temperature value]]
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[[Quality assessment for molecular models]]
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*[[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 00:55, 23 April 2011

Anisotropic refinement is included among the strategies for macromolecular refinement.

Contents

Analysis

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 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 records

Related

TLSView: A Molecular Viewer for TLS Rigid Body Motion

See Also

References

  • Merritt EA. Expanding the model: anisotropic displacement parameters in protein structure refinement. Acta Crystallogr D Biol Crystallogr. 1999 Jun;55(Pt 6):1109-17. PMID:10329772
  • Merritt EA. Comparing anisotropic displacement parameters in protein structures. Acta Crystallogr D Biol Crystallogr. 1999 Dec;55(Pt 12):1997-2004. PMID:10666575
  • 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

Proteopedia Page Contributors and Editors (what is this?)

Wayne Decatur, Eric Martz

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