METHOD AND APPARATUS FOR ANALYSIS OF MOLECULAR COMBINATION BASED ON COMPUTATIONS OF SHAPE COMPLEMENTARITY USING BASIS EXPANSIONS

摘要

A kind of method and apparatus combine the description of the subset feature of two or more molecules for analyzing molecules. The system that this method calculates shape complementation is indicated in the subset coordinate system of the first and second molecule of molecular shape using base extension. First subset of the two sets of translation coefficients of expansion precalculated constitutes the reference set for passing through application parallel shift maneuver device and the coefficient of expansion first of molecule, is then store in computer recordable medium for retrieval later. Then shape complementary score, the associated subset of expression, first and second molecule is calculated by the subset of both application rotation operators appropriate coefficient of expansion and the first molecule of translation of the storage, is the second molecular subset with the reference coefficient of expansion, in the molecular combinations of the different sample configurations of the sequence. Using significant, the beneficial hardware based embodiment for realizing this method of hint of rotation operators (multiple) one or more before parallel shift maneuver device, hardware device will be also described.