伍伯牧, 吕扬. 晶体结构微机解析系统——NOMCSDP程序包J. 药学学报, 1992, 27(7): 522-527.
引用本文: 伍伯牧, 吕扬. 晶体结构微机解析系统——NOMCSDP程序包J. 药学学报, 1992, 27(7): 522-527.
shu
BM Wu, Y Lu. SYSTEM OF CRYSTAL STRUCTURE ANALYSIS ON PCCOMPUTER——NOMCSDP PACKAGEJ. Acta Pharmaceutica Sinica, 1992, 27(7): 522-527.
Citation: BM Wu, Y Lu. SYSTEM OF CRYSTAL STRUCTURE ANALYSIS ON PCCOMPUTER——NOMCSDP PACKAGEJ. Acta Pharmaceutica Sinica, 1992, 27(7): 522-527.
shu

晶体结构微机解析系统——NOMCSDP程序包

SYSTEM OF CRYSTAL STRUCTURE ANALYSIS ON PCCOMPUTER——NOMCSDP PACKAGE

    摘要
  • 摘要: 晶体结构分析程序包——NOMCSDP(natural organic molecule crystal structuredetermination package)版本1.0是在广泛使用的IBM微机上开发的。它不但能够完成X射线晶体结构分析的全过程,而且还适用于中子衍射晶体结构计算。NOMCSDP有操作简便,晶体学专门知识干预少,解析能力强,功能齐全等优点。作者以天然产物分子结构测定为线索,论述了X射线晶体结构分析方法在测定分子结构中实现常规化的必然趋势,并举例说明了NOMCSDP的实际应用。我们期望这个版本在促进晶体结构分析常规化的进程中发挥积极作用。

     

    Abstract: The package of crystal structure analysis---NOMCSDP (NaturalOrganic Molecule Crystal Structure Determination Package)Version 1.0 has been devel-oped on the widely used IBM PC computer. It can perform the whole task of X-raycrystal structure analysis, as well as can be used for computing crystal structure onneutron diffraction. NOMCSDP has many advantages--easy operation, less needs forspecialized crystallographic knowledge, wide applicability of solving structure, and havingall the necessary functions. The inexorable trend of X-ray crystal structure analysis in thecourse of realizing the wide spread use in determining molecular structure of natural productswas discussed and the pratical uses of NOMCSDP were illustrated with examples. We hopethat this version will play active role in the process of promoting routine use of crystalstructure analysis.

     

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