This collection of scripts acts as a graphical interface to the XDS program package. Thus, you will need the XDS package from Wolfgang Kabsch in order to be able use this interface. In order to run, you need to set some environmental parameters, this is done as given in the file installation.txt. Additionally, for making MTZ files from within the interface, the CCP4 environment has to be set up. For running phenix.xtriage, you of course need to have it on your path. The interface runs on OSX. It has been succesfully used also on other Unix flavours, such as Irix and Linux. Let me know if you have any problems. --- Hints, problems (most of which I cannot help), etc. If you have an input file already, and you press the button for a new input file, your old file will be OVERWRITTEN! Nice :) There are currently only buttons for getting 5 different detector-specific input files for XDS. Tell me if you need more (or find the input file manually). The input files must have less than 80 characters/line. This may be a problem in case you have a long path to your images, for example. In this case, make a soft link: ln -s /your/path/is/too/long images The general manual for XDS is reachable from the interface (you must install the XDS_html_doc). In text windows, you can scroll really fast by using the middle mouse button. The refresh button always takes you to the end of the document. The making of MTZ files has been simplified. The 'Quickie' button in XSCALE does scaling and gives you the ready-to-use mtz file with 5% test set. Note...every now and then I try to make it better. But as it works perfectly for me, my motivation might be a bit low... --- latest changes: late 2001 version 1 a running version that I was able to use myself and teach people to use under the surface, VERY messy numerous non-harmful bugs included 12.2.2002 version 1.01 a somewhat cleaned up version (only 6 separate scripts) the program "cellparm" included added "refresh" and "save&exit" buttons 7.5.2002 version 1.02 some minor changes in documentation added buttons for RAXIS4 and SMARTCCD detectors 11.9.2002 version 1.03 changes in documentation more compatible with the new version of XDS 4.3.2003 version 1.04 minor changes under the surface 4.11.2003 version 1.1 added option to view .HKL files added option to view marccd and Mar345 images added Extract Stats button added "Anom." options to making MTZ files added anisotropy analysis added ANG for estimating oscillation angle 12.11.2003 version 1.2 simplified MTZ generation, no editing of f2mtz input required added instructions for the above modified anisotropy analysis 11.02.2005 version 1.3 less text in buttons font size can be set by the user on the command line, e.g. xdsi 12 27.10.2005 version 1.4 html manual can be used ang2xds incorporated for Proteum2 system xx.xx.2006 version 1.5 button for running phenix.xtriage added 31.8.2007 version 1.6 'Quickie' button to do scaling and mtz file in one click anisotropy analysis removed (didn't work anyway:) mtz file generation changed a bit (due to changes in XDS itself) xx.xx.2009 version 1.7 modified to use xds-viewer instead of VIEW for image viewing, added a few image formats the possibility of automatic outlier removal added to XSCALE --- Pete (c) Petri Kursula 2001-9 The reference for XDSi is: Kursula P. (2004) XDSi - a graphical interface for the data processing program XDS. J. Appl. Cryst. 37, 347-348. If you want your own copy, email me: petri.kursula@oulu.fi From the web page you can see any relevant news: http://cc.oulu.fi/~pkursula/xdsi.html