Very neat. Is there some way to set parameters not listed under 'Settings'? Data from the Australian Synchrotron uses ROTATION_AXIS=-1.0 0.0 0.0 but I haven't figured out how to change this. Editing the generated XDS.INP between runs doesn't seem to do it.
Cheers, /Daniel -- Daniel Ericsson Postdoctoral Research Fellow Kobe group School of Chemistry and Molecular Bioscience University of Queensland d.erics...@uq.edu.au +61 44 99 23 036 On Tue, May 29, 2012 at 10:39 PM, Müller, Uwe <u...@helmholtz-berlin.de>wrote: > Dear CCP4BB users, > > we would hereby like to introduce XDSAPP, a GUI for the easy and > convenient processing of diffraction data sets using XDS (see also > Krug et al. (2012). J. Appl. Cryst. 45, 568-572). > > XDSAPP automates the data processing, generates plots of various > data set statistics and produces intensity files suitable for further > analysis using CCP4, SHELX and CNS. > > XDSAPP has the following features: > - detector support for Rayonics MX-225, MARCCD-165 mm, PILATUS 6M and > ADSC Quantum Q315r > - Successfully tested on various Linux platforms > - Full XDS-multiprocessor support > - Space group determination using pointless > - Twinning and pseudo-translation analysis using phenix.xtriage and > sfcheck (CCP4 and PHENIX programs must be installed separately) > - Life graphics during Integration > - Graphical output of statistics of CORRECT and XDSSTAT (XDSSTAT must > be installed separately) > - All XDS output files (.pck, .cbf, .LP) available for viewing within > the GUI > - Automatic multi-crystal processing > - Output files in mtz, hkl and cv format > > XDSAPP is freely available for academics. > > More information on XDSAPP including download instructions can be found > at: > http://www.helmholtz-berlin.de/bessy-mx > > > Uwe Mueller, Manfred S. Weiss and Michael Krug > > > Dr. Uwe Mueller > Soft Matter and Functional Materials > Macromolecular Crystallography (BESSY-MX) | Group leader > Elektronenspeicherring BESSY II > Albert-Einstein-Str. 15, D-12489 Berlin, Germany > > Fon: +49 30 8062 14974 > Fax: +49 30 8062 14975 > url: www.helmholtz-berlin.de/bessy-mx > email:u...@helmholtz-berlin.de* > * > > > ------------------------------ > > Helmholtz-Zentrum Berlin für Materialien und Energie GmbH > > Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher > Forschungszentren e.V. > > Aufsichtsrat: Vorsitzender Prof. Dr. Dr. h.c. mult. Joachim Treusch, stv. > Vorsitzende Dr. Beatrix Vierkorn-Rudolph > Geschäftsführung: Prof. Dr. Anke Rita Kaysser-Pyzalla, Thomas Frederking > > Sitz Berlin, AG Charlottenburg, 89 HRB 5583 > > Postadresse: > Hahn-Meitner-Platz 1 > D-14109 Berlin > > http://www.helmholtz-berlin.de >
