Mercury CSD 2.0 -: new features for the visualization and investigation of crystal structures

被引：7770

作者：

Macrae, Clare F. ^{[1
]}

Bruno, Ian J. ^{[1
]}

Chisholm, James A. ^{[1
]}

Edgington, Paul R. ^{[1
]}

McCabe, Patrick ^{[1
]}

Pidcock, Elna ^{[1
]}

Rodriguez-Monge, Lucia ^{[1
]}

Taylor, Robin ^{[1
]}

van de Streek, Jacco ^{[1
]}

Wood, Peter A. ^{[1
]}

机构：

[1] Cambridge Crystallog Data Ctr, Cambridge CB2 1EZ, England

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2008年 / 41卷

关键词：

D O I：

10.1107/S0021889807067908

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The program Mercury, developed by the Cambridge Crystallographic Data Centre, is designed primarily as a crystal structure visualization tool. A new module of functionality has been produced, called the Materials Module, which allows highly customizable searching of structural databases for intermolecular interaction motifs and packing patterns. This new module also includes the ability to perform packing similarity calculations between structures containing the same compound. In addition to the Materials Module, a range of further enhancements to Mercury has been added in this latest release, including void visualization and links to ConQuest, Mogul and IsoStar.

引用

页码：466 / 470

页数：5

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