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A revised version of the program VEC (visual computing in electron crystallography)

A revised version of the program VEC (visual computing in electron crystallography)
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摘要 The program package VEC (Visual computing in Electron Crystallography) has been revised such that (i) a program converting one-line symbols to two-line symbols of (3+1)-dimensional superspace groups has been incorporated into VEC so that the latter can interpret both kinds of symbols; (ii) a bug in calculating structure factors of onedimensionally incommensurate modulated crystals has been fixed. The correction has been verified by successfully matching the experimental electron microscopy image of an incommensurate crystal with a series of simulated images. The precompiled revised version of VEC and relevant materials are available on the Web at http://cryst.iphy.ac.cn. The program package VEC (Visual computing in Electron Crystallography) has been revised such that (i) a program converting one-line symbols to two-line symbols of (3+1)-dimensional superspace groups has been incorporated into VEC so that the latter can interpret both kinds of symbols; (ii) a bug in calculating structure factors of onedimensionally incommensurate modulated crystals has been fixed. The correction has been verified by successfully matching the experimental electron microscopy image of an incommensurate crystal with a series of simulated images. The precompiled revised version of VEC and relevant materials are available on the Web at http://cryst.iphy.ac.cn.
出处 《Chinese Physics B》 SCIE EI CAS CSCD 2009年第6期2459-2463,共5页 中国物理B(英文版)
基金 Project supported by the National Basic Research Program of China (Grant No 2006CB601001) the National Natural Science Foundation of China (Grant No 50672124)
关键词 VEC electron crystallography computer program VEC, electron crystallography, computer program
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参考文献10

  • 1Wan Z H, Liu Y D, Fu Z Q, Li Y, Chen T Z, Li F H and Fan H F 2003 Z. Kristallgr. 218 308
  • 2Fan H F 2005 CompComm Newsletter No. 5 16
  • 3Fan H F 2005 CompComm Newsletter No.5 24
  • 4Yamamoto A 1996 Acta Cryst. A 52 509
  • 5Sha B D, Fan H F and Li F H 1993 Acta Cryst. A 49 877
  • 6Fu Z Q and Fan H F 1997 J. Appl. Cryst. 30 73
  • 7Janssen T, Janner A, Loouenga-Vos A and de Wolff P M 2006 International Tables for Crystallography Vol. C Chapter 9.8 Table 9.8.3.5 pp922-934
  • 8Arnold H 2006 International Tables for Crystallography Vol. A Chapter 5.2 pp86-89
  • 9Li X M et al 2009 (Paper in preparation)
  • 10Wan Z H, Liu Y D, Fu Z Q, Li Y, Li X M, Cheng T Z, Li F H and Fan H F 2009 VEC- a program of Visual computing in Electron Crystallography - revised version Institute of Physics, Chinese Academy of Science, China

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