可视化
晶体结构
Mercury(编程语言)
材料科学
空隙(复合材料)
分子间力
结晶学
计算机科学
纳米技术
化学
分子
数据挖掘
程序设计语言
有机化学
复合材料
作者
Clare F. Macrae,Ian Bruno,James A. Chisholm,Paul R. Edgington,Patrick McCabe,Elna Pidcock,Lucía Rodríguez-Monge,Robin Taylor,Jacco van de Streek,P.A. Wood
标识
DOI:10.1107/s0021889807067908
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 .
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