Scripts and interfaces - Revision history

Kay: /* XDSAPP */

2024-06-20T10:02:24Z

XDSAPP

← Older revision		Revision as of 12:02, 20 June 2024
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	== XDSAPP ==		== XDSAPP ==

	python/Qt version of [[XDSi]], developed at [~~http~~://www.helmholtz-berlin.de/forschung/oe/em/~~soft~~-~~matter~~/~~forschung/bessy~~-mx/~~xdsapp~~/index_en.html BESSY].		python/Qt version of Krug's [[XDSi]], developed at [https://www.helmholtz-berlin.de/forschung/oe/ps/macromolecular-crystallography/hzb-mx-software/xdsapp3/index_en.html BESSY].

	== [[XDSGUI]] ==		== [[XDSGUI]] ==

Kay: /* XDSi */ remove dead link

2024-06-20T10:01:07Z

XDSi: remove dead link

← Older revision		Revision as of 12:01, 20 June 2024
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	the first published interface, by Petri Kursula (XDSi: a graphical interface for the data processing program XDS. (2004) J. Appl. Cryst. 37, 347-348).		the first published interface, by Petri Kursula (XDSi: a graphical interface for the data processing program XDS. (2004) J. Appl. Cryst. 37, 347-348).

	~~http://cc.oulu.fi/~pkursula/xdsi.html gives 2007 as last modification date.~~

	== [[XDSi]] ==		== [[XDSi]] ==

Kay: /* XDSGUI */

2020-06-28T14:30:02Z

XDSGUI

← Older revision		Revision as of 16:30, 28 June 2020
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	== [[XDSGUI]] ==		== [[XDSGUI]] ==

	to edit input files and run commands.		to edit input files and run commands. See its own [[XDSGUI\|XDSwiki article]].

	== ixds ==		== ixds ==

Kay: /* generate_XDS.INP */

2020-06-28T14:29:18Z

generate_XDS.INP

← Older revision		Revision as of 16:29, 28 June 2020
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	== [[generate_XDS.INP]] ==		== [[generate_XDS.INP]] ==

	is a script for generating a XDS.INP for a given dataset. ~~Under development; works well for MarCCD, ADSC and Pilatus detectors~~.		is a script for generating a XDS.INP for a given dataset. See its own [[generate_XDS.INP\|XDSwiki article]].

Karine: update

2014-09-10T13:39:11Z

update

← Older revision		Revision as of 15:39, 10 September 2014
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	== XDSi ==		== XDSi ==

	the first published interface, by Petri Kursula (XDSi: a graphical interface for the data processing program XDS. (2004) J. Appl. Cryst. 37, 347-348). http://cc.oulu.fi/~pkursula/xdsi.html gives 2007 as last modification date.		the first published interface, by Petri Kursula (XDSi: a graphical interface for the data processing program XDS. (2004) J. Appl. Cryst. 37, 347-348).

			http://cc.oulu.fi/~pkursula/xdsi.html gives 2007 as last modification date.

	== [[XDSi]] ==		== [[XDSi]] ==

	Tcl/Tk interface by Michael Krug (Welte/Diederichs lab). Unfortunately same name. Can process multiple datasets.		Tcl/Tk interface by Michael Krug (Welte/Diederichs lab). Unfortunately same name. Can process multiple datasets.

			== XDSAPP ==

			python/Qt version of [[XDSi]], developed at [http://www.helmholtz-berlin.de/forschung/oe/em/soft-matter/forschung/bessy-mx/xdsapp/index_en.html BESSY].

			== [[XDSGUI]] ==

			to edit input files and run commands.

	== ixds ==		== ixds ==
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	== autoxds ==		== autoxds ==

	script in use at SSRL (Stanford) . See [~~A Quick XDS Tutorial for SSRL~~ http://smb.slac.stanford.edu/facilities/software/xds/]. Download: http://smb.slac.stanford.edu/templates/xds/autoxds ; download http://smb.slac.stanford.edu/templates/xds/mccd_xdsparams.pl , too!		script in use at SSRL (Stanford) . See [http://smb.slac.stanford.edu/facilities/software/xds/ A Quick XDS Tutorial for SSRL].

			Download: http://smb.slac.stanford.edu/templates/xds/autoxds ; download http://smb.slac.stanford.edu/templates/xds/mccd_xdsparams.pl , too!

			== autoPROC ==

			software package, not exclusively using XDS, available at http://www.globalphasing.com/autoproc/ (Vonrhein ''et al.'' (2011). Acta Cryst. D67, 293-302)

	== AutoProcess ==		== AutoProcess ==
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	* XOalign.py for the goniometer setting calculation (to work with different type of goniometer including Kappa, mini-Kappa, Euler...).		* XOalign.py for the goniometer setting calculation (to work with different type of goniometer including Kappa, mini-Kappa, Euler...).
	* xds2mos.py or xds2dnz.py ... (for conversion of orientation matrices)		* xds2mos.py or xds2dnz.py ... (for conversion of orientation matrices)


	== [[generate_XDS.INP]] ==		== [[generate_XDS.INP]] ==

	is a script for generating a XDS.INP for a given dataset. Under development; works well for MarCCD, ADSC and Pilatus detectors.		is a script for generating a XDS.INP for a given dataset. Under development; works well for MarCCD, ADSC and Pilatus detectors.

Kay: /* xdsme */

2010-11-07T12:41:31Z

xdsme

← Older revision		Revision as of 14:41, 7 November 2010
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	* XOalign.py for the goniometer setting calculation (to work with different type of goniometer including Kappa, mini-Kappa, Euler...).		* XOalign.py for the goniometer setting calculation (to work with different type of goniometer including Kappa, mini-Kappa, Euler...).
	* xds2mos.py or xds2dnz.py ... (for conversion of orientation matrices)		* xds2mos.py or xds2dnz.py ... (for conversion of orientation matrices)


			== [[generate_XDS.INP]] ==

			is a script for generating a XDS.INP for a given dataset. Under development; works well for MarCCD, ADSC and Pilatus detectors.

Mnfodje: /* autoProcess */

2010-11-01T15:25:14Z

autoProcess

@@ Line 17: / Line 17: @@
 script in use at SSRL (Stanford) . See [A Quick XDS Tutorial for SSRL http://smb.slac.stanford.edu/facilities/software/xds/]. Download: http://smb.slac.stanford.edu/templates/xds/autoxds ; download http://smb.slac.stanford.edu/templates/xds/mccd_xdsparams.pl , too!
-== autoXDS ==
+== AutoProcess ==
-script developed by Michel Fodje at Canadian Macromolecular Crystallography Facility (Saskatoon)
+Pipeline developed by Michel Fodje at Canadian Macromolecular Crystallography Facility (Saskatoon).
 == xdsme ==

Kay: /* autoxds */

2010-02-27T21:00:11Z

autoxds

← Older revision		Revision as of 23:00, 27 February 2010
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	== autoxds ==		== autoxds ==

	script ~~developed by Michel Fodje at Canadian Macromolecular Crystallography Facility (Saskatoon) and~~ in use ~~e.g.~~ at SSRL (Stanford) . See [A Quick XDS Tutorial for SSRL http://smb.slac.stanford.edu/facilities/software/xds/]. Download: http://smb.slac.stanford.edu/templates/xds/autoxds ; download http://smb.slac.stanford.edu/templates/xds/mccd_xdsparams.pl , too!		script in use at SSRL (Stanford) . See [A Quick XDS Tutorial for SSRL http://smb.slac.stanford.edu/facilities/software/xds/]. Download: http://smb.slac.stanford.edu/templates/xds/autoxds ; download http://smb.slac.stanford.edu/templates/xds/mccd_xdsparams.pl , too!

			== autoXDS ==

			script developed by Michel Fodje at Canadian Macromolecular Crystallography Facility (Saskatoon)

			== xdsme ==

			by Pierre Legrand at SOLEIL (French synchrotron): web address: http://code.google.com/p/xdsme/

			Here's a short description of the program:

			xdsme is a collection of python scripts made to simplify the processing of crystal
			diffraction images with the XDS Program Package. Provided that the diffraction
			parameters are well recorded in the diffraction image headers, XDS data processing
			can be started with a simple command line like:

			$ xdsme pos1_1_???.img

			Supported detector image format include: ADSC, MARCCD, MAR345 + experimental
			for PILATUS, SATURN, RAXIS and MAR555.

			* xdsme (XDS.py), xscale.py and xdsconv.py for data processing, scaling and file conversion.
			* XOalign.py for the goniometer setting calculation (to work with different type of goniometer including Kappa, mini-Kappa, Euler...).
			* xds2mos.py or xds2dnz.py ... (for conversion of orientation matrices)

Kay: /* autoxds */

2010-02-25T19:19:48Z

autoxds

← Older revision		Revision as of 21:19, 25 February 2010
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	== autoxds ==		== autoxds ==

	script in use at SSRL (Stanford) . See [A Quick XDS Tutorial for SSRL http://smb.slac.stanford.edu/facilities/software/xds/]. Download: http://smb.slac.stanford.edu/templates/xds/autoxds ; download http://smb.slac.stanford.edu/templates/xds/mccd_xdsparams.pl , too!		script developed by Michel Fodje at Canadian Macromolecular Crystallography Facility (Saskatoon) and in use e.g. at SSRL (Stanford) . See [A Quick XDS Tutorial for SSRL http://smb.slac.stanford.edu/facilities/software/xds/]. Download: http://smb.slac.stanford.edu/templates/xds/autoxds ; download http://smb.slac.stanford.edu/templates/xds/mccd_xdsparams.pl , too!

Kay: New page: There is a number of script and graphical interfaces for the XDS package. == XDSi == the first published interface, by Petri Kursula (XDSi: a graphical interface for the data processing ...

2010-02-17T09:35:26Z

New page: There is a number of script and graphical interfaces for the XDS package. == XDSi == the first published interface, by Petri Kursula (XDSi: a graphical interface for the data processing ...

New page

There is a number of script and graphical interfaces for the XDS package.

== XDSi ==

the first published interface, by Petri Kursula (XDSi: a graphical interface for the data processing program XDS. (2004) J. Appl. Cryst. 37, 347-348). http://cc.oulu.fi/~pkursula/xdsi.html gives 2007 as last modification date.

== [[XDSi]] ==

Tcl/Tk interface by Michael Krug (Welte/Diederichs lab). Unfortunately same name. Can process multiple datasets.

== ixds ==

python script programmed at BESSY.

== autoxds ==

script in use at SSRL (Stanford) . See [A Quick XDS Tutorial for SSRL http://smb.slac.stanford.edu/facilities/software/xds/]. Download: http://smb.slac.stanford.edu/templates/xds/autoxds ; download http://smb.slac.stanford.edu/templates/xds/mccd_xdsparams.pl , too!