Search results
Results from the WOW.Com Content Network
The Kabsch algorithm, also known as the Kabsch-Umeyama algorithm, [1] named after Wolfgang Kabsch and Shinji Umeyama, is a method for calculating the optimal rotation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.
The study of RMSD for small organic molecules (commonly called ligands when they're binding to macromolecules, such as proteins, is studied) is common in the context of docking, [1] as well as in other methods to study the configuration of ligands when bound to macromolecules. Note that, for the case of ligands (contrary to proteins, as ...
In experimental psychology, the RMSD is used to assess how well mathematical or computational models of behavior explain the empirically observed behavior. In GIS, the RMSD is one measure used to assess the accuracy of spatial analysis and remote sensing. In hydrogeology, RMSD and NRMSD are used to evaluate the calibration of a groundwater ...
Examples of correlation between RCI and other methods of measuring motional amplitudes in proteins. NMR RMSD - root mean square fluctuations of atomic coordinates in NMR ensembles, MD RMSD - root mean square fluctuations of atomic coordinates in MD ensembles, S2 - model-free order parameter, RCI - random coil index, B-factor - temperature factor of X-ray structures; RCI->NMR RMSD - root mean ...
Users can run their own Tcl and Python scripts within VMD as it includes embedded Tcl and Python interpreters. VMD runs on Unix , Apple Mac macOS , and Microsoft Windows . [ 3 ] VMD is available to non-commercial users under a distribution-specific license which permits both use of the program and modification of its source code, at no charge.
Provided the data are strictly positive, a better measure of relative accuracy can be obtained based on the log of the accuracy ratio: log(F t / A t) This measure is easier to analyze statistically and has valuable symmetry and unbiasedness properties
This article summarizes the classes of discrete symmetry groups of the Euclidean plane. The symmetry groups are named here by three naming schemes: International notation, orbifold notation, and Coxeter notation. There are three kinds of symmetry groups of the plane: 2 families of rosette groups – 2D point groups; 7 frieze groups – 2D line ...
SSIM satisfies the identity of indiscernibles, and symmetry properties, but not the triangle inequality or non-negativity, and thus is not a distance function. However, under certain conditions, SSIM may be converted to a normalized root MSE measure, which is a distance function. [ 5 ]