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MaXrd updated with emphasis on model construction and reciprocal‐space simulations
Journal of Applied Crystallography ( IF 6.1 ) Pub Date : 2020-11-05 , DOI: 10.1107/s160057672001328x
Stian Penev Ramsnes , Helge Bøvik Larsen , Gunnar Thorkildsen

A major revision of the MathematicaX‐ray Diffraction Package (MaXrd) has been undertaken, where developments have focused upon construction of crystal structure models, in particular host–guest systems, and subsequent simulations of reciprocal space through the external programs DISCUS and DIFFUSE (ZMC).

中文翻译:

MaXrd更新,重点是模型构建和对等空间模拟

Mathematica X射线衍射软件包MaXrd)进行了重大修订,其开发重点是晶体结构模型的构建,特别是主客体系统的构建,以及随后通过外部程序DISCUSDIFFUSE()进行倒数空间的模拟(ZMC)。
更新日期:2020-12-03
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