Protein Powder Diffraction Analysis with TOPAS

Yves Watier; Andy Fitch

doi:10.4028/www.scientific.net/MSF.651.117

Paper Titles

Simulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure Diffraction
p.71

Direct Access to the Order Parameter: Parameterized Symmetry Modes and Rigid Body Movements as a Function of Temperature
p.79

“Powder 3D Parametric”- A program for Automated Sequential and Parametric Rietveld Refinement Using Topas
p.97

MEM Calculations on Apatites Containing Peroxide Using BAYMEM and TOPAS
p.105

Protein Powder Diffraction Analysis with TOPAS
p.117

Composition-Induced Microstrain Broadening: From Pattern Decomposition to whole Powder Pattern Modelling Procedures
p.131

WPPM: Microstructural Analysis beyond the Rietveld Method
p.155

WPPM: Advances in the Modeling of Dislocation Line Broadening
p.173

Domain Size Analysis in the Rietveld Method
p.187

HomeMaterials Science ForumMaterials Science Forum Vol. 651Protein Powder Diffraction Analysis with TOPAS

Protein Powder Diffraction Analysis with TOPAS

Abstract:

While various software packages exist to study powder patterns, few are accessible to beginners and yet remain highly customisable. In this paper we will give guidelines for biologists interested in analysing powder patterns of proteins with Topas. Several topics will be discussed, from basic methods like indexing on a restricted list of spacegroups, to advanced use of command input les for pattern modelling and rigid body renement.

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Periodical:

Materials Science Forum (Volume 651)

Pages:

117-129

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.651.117

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Online since:

May 2010

Authors:

Yves Watier, Andy Fitch

Keywords:

Indexing, Powder Diffraction, Protein, Rigid Bodies

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References

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