Use of software to search for higher symmetry: space group C2

Marsh RE.; Spek AL.

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Use of software to search for higher symmetry: space group C2

机译：使用软件搜索更高的对称性：C2空间组

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From a search of the October 2000 release of the Cambridge Structural Database we rnd coordinate data for approximately 1500 entries under space group No. 5: C2 or, occasionally, A2, I2 or B112. Software designed to detect cases of missed higher symmetry identified 144 entries for detailed inspection. Of these, 50 should, we believe, be revised to space groups of higher symmetry. The most common revision is to space group C2/m, which entails adding a center of inversion and usually results in important changes in bond lengths and angles. [References: 69]

机译：通过搜索2000年10月发布的Cambridge结构数据库，我们找到了5号空间组C2或偶尔A2，I2或B112下大约1500个条目的坐标数据。设计用于检测缺少较高对称性的情况的软件可识别144个条目，以进行详细检查。我们认为，其中的50个应修改为对称性更高的空间组。最常见的修改是对空间组C2 / m，这需要添加反转中心，并且通常会导致键长和角度发生重要变化。 [参考：69]

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《Acta Crystallographica, Section B. Structural Science》 |2001年第6期|共6页
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Marsh RE.; Spek AL.;
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1. Use of software to search for higher symmetry: space group C2 [J] . Marsh RE., Spek AL. Acta Crystallographica, Section B. Structural Science . 2001,第6期

机译：使用软件搜索更高的对称性：C2空间组
2. Breaking the search space symmetry in partitioning problems An application to the graph coloring problem [J] . El-Ghazali Talbi, Benjamin Weinberg Theoretical computer science . 2007,第1期

机译：在划分问题中打破搜索空间的对称性在图着色问题中的应用
3. Structure determination of symmetric homo-oligomers by a complete search of symmetry configuration space, using NMR restraints and van der Waals packing. [J] . Potluri S, Yan AK, Chou JJ, Proteins: Structure, Function, and Genetics . 2006,第1期

机译：通过使用NMR约束和范德华堆积，通过完全搜索对称构型空间来确定对称均聚物的结构。
4. Symmetry Breaking and Local Search Spaces [C] . Steven Prestwich, Andrea Roli International Conference on Integration of AI and OR Techniques in Constraint Programming for Combinatorial Optimization Problems(CPAIOR 2005); 20050530-0601; Prague(CZ) . 2005

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6. Bhageerath: an energy based web enabled computer software suite for limiting the search space of tertiary structures of small globular proteins [O] . B. Jayaram, Kumkum Bhushan, Sandhya R. Shenoy, 2006

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7. Use of software to search for higher symmetry: space group C2 [O] . Marsh Richard E., Spek Anthony L. 2001

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8. Vibrational Spectra of Double Helical Molecules with C2 Symmetry [R] . Hua, X. M., Prohofsky, E. W. 1988

机译：C2对称双螺旋分子的振动光谱

Use of software to search for higher symmetry: space group C2

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