X-Seed 4: updates to a program for small-molecule supramolecular crystallography

被引:100
作者
Barbour, Leonard J. [1 ]
机构
[1] Univ Stellenbosch, Dept Chem & Polymer Sci, ZA-7600 Matieland, South Africa
关键词
graphical user interfaces; SHELX; POV-Ray; MSRoll; presentation-quality figures; CRYSTAL; VISUALIZATION; GRAPHICS; SYSTEM;
D O I
10.1107/S1600576720007438
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
X-Seed is a native Microsoft Windows program with three primary functions: (i) to serve as a graphical user interface to the SHELX suite of programs, (ii) to facilitate exploration of crystal packing and intermolecular interactions, and (iii) to generate high-quality molecular graphics artwork suitable for publication and presentation. Development of X-Seed Version 1.0 began in 1998, when point-and-click crystallographic software was still limited in scope and power. Considerable enhancements have been implemented within X-Seed over the past two decades. Of particular importance are support for the SHELX2019 programs (SHELXS, SHELXD, SHELXT and SHELXL) for structure solution and refinement, and MSRoll for rendering void spaces in crystal structures. The current version (i.e. Version 4) of X-Seed has a new interface designed to be more interactive and user friendly, and the software can be downloaded and used free of charge.
引用
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页码:1141 / 1146
页数:6
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