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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 ...
Note that, for the case of ligands (contrary to proteins, as described above), their structures are most commonly not superimposed prior to the calculation of the RMSD. RMSD is also one of several metrics that have been proposed for quantifying evolutionary similarity between proteins, as well as the quality of sequence alignments. [7] [8]
The MSE either assesses the quality of a predictor (i.e., a function mapping arbitrary inputs to a sample of values of some random variable), or of an estimator (i.e., a mathematical function mapping a sample of data to an estimate of a parameter of the population from which the data is sampled).
Let P and Q be two sets, each containing N points in .We want to find the transformation from Q to P.For simplicity, we will consider the three-dimensional case (=).The sets P and Q can each be represented by N × 3 matrices with the first row containing the coordinates of the first point, the second row containing the coordinates of the second point, and so on, as shown in this matrix:
In these examples, we will take the values given as the entire population of values. The data set [100, 100, 100] has a population standard deviation of 0 and a coefficient of variation of 0 / 100 = 0; The data set [90, 100, 110] has a population standard deviation of 8.16 and a coefficient of variation of 8.16 / 100 = 0.0816
J. Jakarta EE; Jakarta Servlet; Template:Java; Template talk:Java; Java (programming language) Java annotation; Java API for XML Processing; Java class loader
The maximum is taken over all possible structure superpositions of the model and template (or some sample thereof). When comparing two protein structures that have the same residue order, L common {\displaystyle L_{\text{common}}} reads from the C-alpha order number of the structure files (i.e., Column 23-26 in Protein Data Bank (file format) ).
GRASP (Linux, UNIX) and pcGRASP (Windows) are written in C/C++, whereas jGRASP is written in Java (the "j" in jGRASP means it runs on the JVM). The jGRASP web site offers downloads for Windows, Mac OS, and as a generic ZIP file suitable for Linux and other systems. For languages other than Java and Kotlin, jGRASP is a source code editor and ...