Assemble 2.0: a structure generator

Assemble 2.0: a structure generator
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DOI:
10.1016/s0169-7439(00)00056-3
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发表时间:
2000-05-08
影响因子:
3.9
通讯作者:
Pretsch, E
Pretsch, E
中科院分区:
计算机科学3区
文献类型:
--
作者:
Badertscher, M;Korytko, A;Pretsch, E

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提出了一种新的结构生成器Assemble 2.0,它具有友好的用户界面。回顾了可输入的结构信息,并给出了在全自动操作模式下可实现的结果的示例。生成的结构可以根据它们的H-1和/或C-13 NMR谱自动排序。该程序适用于Windows 95、Windows 98和Windows NT。(C) 2000 Elsevier Science B.V.版权所有。
Assemble 2.0, a new structure generator with a user-friendly interface is presented. The pieces of structural information that can be input are reviewed and an example of the achievable results in a fully automatic mode of operation is given. The generated structures can be ranked automatically on the basis of their H-1 and/or C-13 NMR spectra. The program is available for Windows 95, Windows 98, and Windows NT. (C) 2000 Elsevier Science B.V. All rights reserved.