1. What contributions have the authors mentioned in the paper "On the handling of atomic anisotropic displacement parameters" ?
Here the authors review the commonly used conventions, with a special emphasis on their application in macromolecular crystallography.. The authors then describe a new software toolbox for the handling of the various representations of atomic anisotropic displacement parameters and their interconversion.
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2. What is the common convention for the representation of ADPs?
In small-molecule crystallography, a third basis system is used almost universally for the representation of ADPs: the basis is formed by unit vectors that are parallel to the basis vectors of the crystallographic reciprocal lattice.
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3. What is the common way to model a crystal structure?
When high-resolution diffraction data are available, crystal structures are often modeled using atomic anisotropic displacement parameters (ADPs) to describe thermal motion and possible static displacive disorder.
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4. What is the useful convention for the representation of ellipsoids?
In addition, the Cartesian basis system is typically the most useful for generating graphical representations of such ellipsoids (as performed, e.g., by the ORTEP program (Burnett & Johnson, 1996)).
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