Класс: Alpha and beta proteins (a/b) . ... Суперсемейство: Isochorismatase-like hydrolases . Семейство: Isochorismatase-like hydrolases . Положение: цепь А, остатки 3-58 . ... Положение: цепь А, остатки 59-340 . ... Положение: остатки 12-199 на соответствующей цепи . ... Суперсемейство: нет названия (включает 6 семейств) . ... Положение: цепь A, остатки 60-161, 292-323 . ... Суперсемейство: нет названия (включает 103 семейства) . ... Положение: цепь A, остатки 162-291, 324-340 . ...

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NPB UA benchmark scaling to thousands of Blue Gene/P cores using PGAS-like OpenMP extension" . ... The PGAS-like SHMEM library implementation for IBM Blue Gene/P through the DCMF messaging layer is considered. A number of results obtained on up to 4096 cores of the Blue Gene/P system installed at the Moscow State University are analyzed. ... Keywords: NPB UA Benchmark, PGAS paradigm, unstructured adaptive, OpenMP extension, Blue Gene/P, parallel programming . ...

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. CONTENTS . 0. Notation . 1. Valence electrons in a ground state of atoms and ions (108 Tables) . 2. He-like ions . 2.1 (1sns) 1; S and (2s2s) 1; S (138 Tables) . 2.2 (1snp) 1; P and (2s2p) 1; P (60 Tables) . 2.3 (1snd) 1; D and (2p2p) 1; D (46 Tables) . 2.4 (1sns) 3; S (no data) . 2.5 (1snp) 3; P (2 Tables) . 2.6 (1snd) 3; D (no data) . 3. Li-like ions (1s1snL) 2; L (10 Tables)

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STARTINCLUDE% ---+ Skin Template Tokens _Placeholders expanded by Foswiki scripts when generating output_ %TOC% %STARTSECTION{"PowerUserGuide"}% ---++ Overview _Template Tokens_ are written exactly like Foswiki [[Macros][macros]], but they are local to the script / template expansion process and can __not__ be used elswhere in Foswiki topics. ... nop>TEXT% | ... Email address of the new user | ... User password - not used in current templates. ... This topic: System > Skins > SkinTemplateTokens . ...

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Microsymposium 38, MS082, 2003 (A4 format) EVALUATING THE STRUCTURE OF THE SURFACE LAYER OF MERCURY. ... Photometric Analysis of the Lunar Surface Analogue. ... The phase function obtained directly on some segments of the lunar surface: 1- phase function of the Moon, 2 - phase function of Mercury, 3 - phase function of segments, converted to the lunar phase function system (correlation 0.8), 4 - phase function of segments, converted to the Mercurian phase function (correlation 0.9). ...

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... Cartesian Shift Coordinates . ... If the process topology is a cartesian structure, a MPI_SENDRECV operation is likely to be used along a coordinate direction to perform a shift of data. ... MPI_CART_SHIFT(comm, direction, disp, rank_source, rank_dest) . ... IN direction] coordinate dimension of shift (integer) . ... Depending on the periodicity of the cartesian group in the specified coordinate direction, MPI_CART_SHIFT provides the identifiers for a circular or an end-off shift. ... Центры . ...

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Many systems, especially those which contain transition metals and/or make use of ECP basis sets, are very difficult to converge. This problem is typically related with the improper quality of initial guess orbitals. ... You need to perform geometry optimization, hovewer, you cannot even force SCF to converge at the initial geometry! ... Could it be the case I can use these two sets of converged SCF orbitals of fragments to form better initial guess for the entire molecule? ...

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