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DIALS 工具包。

DIALS as a toolkit.

机构信息

Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, UK.

STFC Rutherford Appleton Laboratory, Didcot, UK.

出版信息

Protein Sci. 2022 Jan;31(1):232-250. doi: 10.1002/pro.4224. Epub 2021 Nov 24.

DOI:10.1002/pro.4224
PMID:34747533
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8740827/
Abstract

The DIALS software for the processing of X-ray diffraction data is presented, with an emphasis on how the suite may be used as a toolkit for data processing. The description starts with an overview of the history and intent of the toolkit, usage as an automated system, command-line use, and ultimately how new tools can be written using the API to perform bespoke analysis. Consideration is also made to the application of DIALS to techniques outside of macromolecular X-ray crystallography.

摘要

介绍了 DIALS 软件，用于处理 X 射线衍射数据，重点介绍了该套件如何用作数据处理工具包。描述从工具包的历史和意图概述开始，介绍了它作为自动化系统、命令行使用的用法，以及最终如何使用 API 编写新工具来执行定制分析。还考虑了 DIALS 在除大分子 X 射线晶体学之外的技术中的应用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/f021e45cc179/PRO-31-232-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/0d0a23d4b7e3/PRO-31-232-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/7e7cbefe0913/PRO-31-232-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/bfd8ee087eca/PRO-31-232-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/d2514e7b8f3c/PRO-31-232-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/acb231e3a9ea/PRO-31-232-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/4e04e5371514/PRO-31-232-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/0c02a3d22c96/PRO-31-232-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/87ccd2e9e2b5/PRO-31-232-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/dfb77782b7f7/PRO-31-232-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/2d98f6e5327f/PRO-31-232-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/f021e45cc179/PRO-31-232-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/0d0a23d4b7e3/PRO-31-232-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/7e7cbefe0913/PRO-31-232-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/bfd8ee087eca/PRO-31-232-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/d2514e7b8f3c/PRO-31-232-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/acb231e3a9ea/PRO-31-232-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/4e04e5371514/PRO-31-232-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/0c02a3d22c96/PRO-31-232-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/87ccd2e9e2b5/PRO-31-232-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/dfb77782b7f7/PRO-31-232-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/2d98f6e5327f/PRO-31-232-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e52/8740827/f021e45cc179/PRO-31-232-g009.jpg

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