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The Wyckoff positions are named after Ralph Wyckoff, an American X-ray crystallographer who authored several books in the field.His 1922 book, The Analytical Expression of the Results of the Theory of Space Groups, [3] contained tables with the positional coordinates, both general and special, permitted by the symmetry elements.
X-ray crystallography is still the primary method for characterizing the atomic structure of materials and in differentiating materials that appear similar in other experiments. X-ray crystal structures can also help explain unusual electronic or elastic properties of a material, shed light on chemical interactions and processes, or serve as ...
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It is used in the fields of X-ray crystallography and nuclear magnetic resonance spectroscopy of proteins (NMR) analysis. [ 1 ] X-PLOR is a highly sophisticated program that provides an interface between theoretical foundations and experimental data in structural biology, with specific emphasis on X-ray crystallography and nuclear magnetic ...
In X-ray crystallography, resolution is a measure of the resolvability or precision in the electron density map of a molecule. Resolution is usually reported in Angstroms (Å, 10 –10 meters) for X-ray crystal structures. The smaller the number, the better the degree of atomic resolution.
The CCP4 file format is file generated by the Collaborative Computational Project Number 4 in 1979. The file format for electron density has become industry standard in X-ray crystallography and Cryo-electron microscopy where the result of the technique is a three-dimensional grid of voxels each with a value corresponding to density of electrons (see wave function) The CCP4 format is supported ...
Early demonstrations of isomorphous replacement in crystallography come from James M. Cork, [3] John Monteath Robertson, [4] and others. An early demonstration of isomorphous replacement in crystallography came in 1927 with a paper reporting the x-ray crystal structures of a series of alum compounds from Cork. [3]
In X-ray crystallography, a difference density map or Fo–Fc map shows the spatial distribution of the difference between the measured electron density of the crystal and the electron density explained by the current model. [1] A way to compute this map has been formulated for cryo-EM. [2]