7
edits
Scripts and interfaces: Difference between revisions
update
(→xdsme) |
(update) |
||
| 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. | |||
== ixds == | == ixds == | ||
| Line 15: | Line 25: | ||
== autoxds == | == autoxds == | ||
script in use at SSRL (Stanford) . See [ | 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 == | ||
| Line 61: | Line 77: | ||
* 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. | ||