2,652
edits
(→XDSGUI) |
|||
(5 intermediate revisions by 3 users not shown) | |||
Line 3: | Line 3: | ||
== 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. See its own [[XDSGUI|XDSwiki article]]. | |||
== ixds == | == ixds == | ||
Line 15: | Line 25: | ||
== autoxds == | == autoxds == | ||
script | 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 == | |||
Pipeline developed by Michel Fodje at Canadian Macromolecular Crystallography Facility (Saskatoon). | |||
Usage: | |||
autoprocess [options] /path/to/set1.img /path/to/set2.img ... /path/to/setn.img | |||
options: | |||
--mad, -m : Process each set, scale together and generate separate reflection files. | |||
--screen, -s : Process a few frames from characterize crystal from each set. | |||
--anom, -a : Process with Friedel's law False | |||
--backup, -b : Backup previous output directory if it exists | |||
--prefix=p1,p2,p3 : comma separated list of prefixes to use for output files. | |||
Default is first part of image name | |||
prefix order should correspond to the order of the data sets | |||
for example for MAD data, use --prefix=peak,infl,remo | |||
--dir=/path : Directory to store processed results. Default is to create a new one in the current directory. | |||
--inputs, -i: generate XDS.INP only and quit | |||
--help, -h : display this message | |||
Default (no option): Process each set, scale together and merge into one reflection file. | |||
Data sets: | |||
Each data set can be represented by any frame from that set. | |||
== 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) | |||
== [[generate_XDS.INP]] == | |||
is a script for generating a XDS.INP for a given dataset. See its own [[generate_XDS.INP|XDSwiki article]]. |