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从可视化到分析、设计与预测。

: from visualization to analysis, design and prediction.

作者信息

Macrae Clare F, Sovago Ioana, Cottrell Simon J, Galek Peter T A, McCabe Patrick, Pidcock Elna, Platings Michael, Shields Greg P, Stevens Joanna S, Towler Matthew, Wood Peter A

机构信息

Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK.

出版信息

J Appl Crystallogr. 2020 Feb 1;53(Pt 1):226-235. doi: 10.1107/S1600576719014092.

Abstract

The program , developed at the Cambridge Crystallographic Data Centre, was originally designed primarily as a crystal structure visualization tool. Over the years the fields and scientific communities of chemical crystallography and crystal engineering have developed to require more advanced structural analysis software. has evolved alongside these scientific communities and is now a powerful analysis, design and prediction platform which goes a lot further than simple structure visualization.

摘要

该程序由剑桥晶体学数据中心开发,最初主要设计为一种晶体结构可视化工具。多年来,化学晶体学和晶体工程的领域及科学界不断发展,需要更先进的结构分析软件。它随着这些科学界的发展而演变,如今已成为一个强大的分析、设计和预测平台,其功能远不止于简单的结构可视化。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b3cd/6998782/91f6f852c623/j-53-00226-fig1.jpg

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