Anisotropic refinement

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Anisotropic refinement is included among the strategies for macromolecular refinement.

AnalysisAnalysis

PARVATI - Protein Anisotropic Refinement Validation and Analysis Tool. TLSView: A Molecular Viewer for TLS Rigid Body Motion

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.

ReferencesReferences

[xtra 1][xtra 2]<ref group="xtra">PMID:15809496/ref>

  1. ↑ 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
  2. ↑ Merritt EA. Comparing anisotropic displacement parameters in protein structures. Acta Crystallogr D Biol Crystallogr. 1999 Dec;55(Pt 12):1997-2004. PMID:10666575

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Wayne Decatur, Eric Martz
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