Phillips G N
W. M. Keck Center for Computational Biology, Houston, Texas, USA.
Biophys J. 1995 Oct;69(4):1281-3. doi: 10.1016/S0006-3495(95)80035-4.
A software package, XRayView, has been developed that uses interactive computer graphics to introduce basic concepts of x-ray diffraction by crystals, including the reciprocal lattice, the Ewald sphere construction, Laue cones, the wavelength dependence of the reciprocal lattice, primitive and centered lattices and systematic extinctions, rotation photography. Laue photography, space group determination and Laue group symmetry, and the alignment of crystals by examination of reciprocal space. XRayView is designed with "user-friendliness" in mind, using pull-down menus to control the program. Many of the experiences of using real x-ray diffraction equipment to examine crystalline diffraction can be simulated. Exercises are available on-line to guide the users through many typical x-ray diffraction experiments.
已开发出一个名为XRayView的软件包,它利用交互式计算机图形来介绍晶体X射线衍射的基本概念,包括倒易点阵、埃瓦尔德球构建、劳厄锥、倒易点阵的波长依赖性、简单点阵和带心点阵以及系统消光、旋转照相法、劳厄照相法、空间群确定和劳厄群对称性,以及通过检查倒易空间来对晶体进行取向。XRayView在设计时考虑到了“用户友好性”,使用下拉菜单来控制程序。使用真实X射线衍射设备检测晶体衍射的许多体验都可以被模拟。在线提供了练习,以指导用户完成许多典型的X射线衍射实验。