The program SHELIXIR represents a simple and efficient tool for routine phase-problem solution using data for experimental phasing by the single-wavelength anomalous dispersion, multiwavelength anomalous dispersion, single isomorphous replacement with anomalous scattering and radiation-damage-induced phasing methods. As indicated in its name, all calculation procedures are performed with the SHELXC/D/E program package. SHELIXIR provides screening for alternative space groups, optimal solvent content, and high- and low-resolution limits. The procedures of SHELXE are parallelized to minimize the computational time. The automation and parallelization of such procedures are suitable for phasing at synchrotron beamlines directly or for finding the optimal parameters for further data processing. A simple graphical interface is designed to make use easier and to increase efficiency during beam time.

中文翻译：

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SHELIXIR：使用 SHELXC/D/E 实现实验定相程序的自动化

SHELIXIR程序代表了一种简单而有效的工具，用于使用单波长反常色散、多波长反常色散、单同晶替代与反常散射和辐射损伤诱导的定相方法进行实验定相的数据，用于解决常规相位问题。如其名称所示，所有计算程序均使用SHELXC / D / E程序包执行。SHELIXIR提供替代空间群、最佳溶剂含量以及高分辨率和低分辨率限制的筛选。SHELXE的程序并行化以最小化计算时间。此类程序的自动化和并行化适用于直接在同步加速器光束线上定相或为进一步数据处理寻找最佳参数。一个简单的图形界面旨在使使用更容易并提高光束时间的效率。