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Quaternion – used to optimise RMSD calculations; Kabsch algorithm – an algorithm used to minimize the RMSD by first finding the best rotation [3] GDT – a different structure comparison measure; TM-score – a different structure comparison measure; Longest continuous segment (LCS) — A different structure comparison measure
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 ...
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.
Dlib is a modern C++ library with easy to use linear algebra and optimization tools which benefit from optimized BLAS and LAPACK libraries. Eigen is a vector mathematics library with performance comparable with Intel's Math Kernel Library; Hermes Project: C++/Python library for rapid prototyping of space- and space-time adaptive hp-FEM solvers.
The TM-score is intended as a more accurate measure of the global similarity of full-length protein structures than the often used RMSD measure. The TM-score indicates the similarity between two structures by a score between ( 0 , 1 ] {\displaystyle (0,1]} , where 1 indicates a perfect match between two structures (thus the higher the better ...
The test functions used to evaluate the algorithms for MOP were taken from Deb, [4] Binh et al. [5] and Binh. [6] The software developed by Deb can be downloaded, [7] which implements the NSGA-II procedure with GAs, or the program posted on Internet, [8] which implements the NSGA-II procedure with ES.
The Python Package Index, abbreviated as PyPI (/ ˌ p aɪ p i ˈ aɪ /) and also known as the Cheese Shop (a reference to the Monty Python's Flying Circus sketch "Cheese Shop"), [2]: 8 [3]: 742 is the official third-party software repository for Python. [4] It is analogous to the CPAN repository for Perl [5]: 36 and to the CRAN repository for R.
Given a transformation between input and output values, described by a mathematical function, optimization deals with generating and selecting the best solution from some set of available alternatives, by systematically choosing input values from within an allowed set, computing the output of the function and recording the best output values found during the process.