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== What is XDS, and how to obtain it? == | == What is XDS, and how to obtain it? == | ||
XDS is a program package written for the "reduction" of 2-dimensional data images ("frames") obtained from crystals irradiated with monochromatic X-rays. The package mainly consists of the programs [[XDS]] (which processes a single dataset), [[XSCALE]] (for scaling of several datasets) , [[XDSCONV]] (for conversion of output file to other formats) and [[ | XDS is a program package written for the "reduction" of 2-dimensional data images ("frames") obtained from crystals irradiated with monochromatic X-rays. The package mainly consists of the programs [[XDS]] (which processes a single dataset), [[XSCALE]] (for scaling of several datasets) , and [[XDSCONV]] (for conversion of a reflection output file to other formats). Additional auxiliary programs are [[cellparm]], [[2cbf]] and [[merge2cbf]]. [[XDS-viewer]], for visualizing frames, can be downloaded separately (see [[Installation]]). | ||
The author of the program package is Wolfgang Kabsch (Wolfgang dot Kabsch at mpimf-heidelberg dot mpg dot de). | The author of the program package is Wolfgang Kabsch (Wolfgang dot Kabsch at mpimf-heidelberg dot mpg dot de); since 2007 I contribute code, handle and fix bugs and teach XDS usage. | ||
The program is free for academic use, and can be downloaded from | The program is free for academic use, and can be downloaded from https://xds.mr.mpg.de/html_doc/XDS.html (if the download from that site fails, there's a copy at https://wiki.uni-konstanz.de/pub/xds ). | ||
Documentation is at http:// | Documentation is at http://xds.mr.mpg.de/html_doc/XDS.html ; possibly old documentation is [https://{{SERVERNAME}}/pub/xds/XDS_html_doc/index.html here]. | ||
An open-source viewer [[XDS-Viewer]] is [http://xds-viewer.sourceforge.net available] for visualization of the control images written by [[XDS]] (and [[XSCALE]]). E.g. [[Adxv]] can also visualize XDS output files. | |||
There is another program available, which serves to produce additional output of tables and plots. This is not part of the official XDS package; its name is [[XDSSTAT]] (written and distributed by Kay Diederichs). | There is another program available, which serves to produce additional output of tables and plots. This is not part of the official XDS package; its name is [[XDSSTAT]] (written and distributed by Kay Diederichs). Yet another program that produces frame-wise (for XDS_ASCII.HKL) or dataset-wise (for XSCALE.HKL) CC<sub>1/2</sub> statistics is [[XDSCC12]]. | ||
[[XDSGUI]], a graphical user interface, serves to help using XDS. | |||
== Links to XDS papers by Wolfgang Kabsch == | == Links to XDS papers by Wolfgang Kabsch == | ||
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== Contributing to the Wiki == | == Contributing to the Wiki == | ||
* The MediaWiki software used here works in the same way as the well-known Wikipedia. This means that anyone can read articles, but for editing existing pages, and creating new ones (this happens automatically when you click on a [[red link]]), | * The MediaWiki software used here works in the same way as the well-known Wikipedia. This means that anyone can read articles, but for editing existing pages, and creating new ones (this happens automatically when you click on a [[red link]]), we need to a create an account for you - send us a personal email (kay.diederichs@uni-konstanz.de, or karsten.schaefer@uni-konstanz.de). | ||
* Short introduction to [[creating an article]] | * Short introduction to [[creating an article]] | ||
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* [[Topics]] as an attempt to provide a hierarchy of pages | * [[Topics]] as an attempt to provide a hierarchy of pages | ||
* new articles: [[ | * new articles: [[SSX]], [[Xscale_isocluster]], [[LIB]] | ||
== News == | |||
New version of XDSGUI May 2023 - see [[Installation]] | |||
[https://www.youtube.com/watch?v=3WU9NrILECo XDS and XDSGUI. SBGrid Webinar by Kay Diederichs, May 2020] [https://strucbio.biologie.uni-konstanz.de/pub/Crystallographic_data_processing_with_XDS_using_XDSGUI.pdf slides of the talk] | |||
[[xdscc12]] | |||
[[xscale_isocluster]] | |||
Our [https://doi.org/10.1107/S2059798320006348 July 2020 paper] about selection and scaling in multi-data-set crystallography | |||
== See also == | == See also == | ||
[http:// | [https://{{SERVERNAME}}/pub/MWhitley_CSHL-2018_XDS-Tutorial.pdf Matthew J. Whitley's excellent tutorial] about XDS processing with [[XDSGUI]], from the 2018 Cold Spring Harbor X-Ray Methods in Structural Biology Course. | ||
[https://{{SERVERNAME}}/pub/XDS_Yamashita_ACA2014.pdf Keitaro Yamashita's talk] about XDS processing given at ACA2014. | |||
[http://strucbio.biologie.uni-konstanz.de/~dikay/XDS_Diederichs_ACA2011.pdf XDS talk] given at ACA2011. | |||
[https://www.researchgate.net/publication/236032099_Practical_use_of_XDS_%28for_data_reduction%29._Presented_in_April_4th_2013_Dept._of_Biochemical_Sciences_Sapienza_University_of_Rome?ev=prf_pub Practical use of XDS (for data reduction) - by Fulvio Saccoccia], Presented in April, 4th 2013; Dept. of Biochemical Sciences and Istituto Pasteur-Fondazione Cenci Bolognetti - Sapienza University of Rome. | |||
[[XDSGUI]], a graphical user interface for data processing with XDS developed by Wolfgang Brehm and Kay Diederichs | |||
[http:// | [http://www.helmholtz-berlin.de/xdsapp XDSAPP3], a graphical user interface for automatic data processing with XDS | ||
[ | [[Installation]] | ||