The XDS-package comprises two tar-files: 1)Documentation and input file templates of the XDS-package is in XDS-manuals.tar. 2)Executables of the XDS-package are in a second tar-file, which comes in several computer specific variants. SGI: XDS-IRIX6.5_R4400_INDIGO2.tar XDS-IRIX6.5_R5000_O2.tar XDS-IRIX6.5_R10000_O2.tar XDS-IRIX6.5_R10000_OCTANE.tar XDS-IRIX6.5_R10000_ORIGIN.tar DEC/alpha: XDS-OSF1_big_endian.tar Intel PentiumIII: XDS-linux_IntelPentiumIII.tar Executables ----------- xds Main data processing program for rotation images. A program description is given in file 'xds.man' xscale Scaling program for xds-produced data sets. A program description is given in file 'xscale.man' xdsconv Converts reflection intensities as generated by xds to amplitudes in a format suitable for CNS and other structure solution program packages. A program description is given in file 'xdsconv.man' xplan Program to help planning data collection. A program description is given in file 'xplan.man' VIEW Program to look at images (Author W.Gebhard) Type VIEW -h to get a program description. cellparm Estimates cell constants from a number of XDS-runs A program description is given in file 'cellparm.man' xspot Interactive program to extract strong diffraction spots from file PROFIT.HKL for use in the IDXREF step of xds 2pck Converts detector images into files of type CCP4, compressed by J.P.Abraham's algorithm. The converted (and compressed) images are acceptable to xds. A program description is given in file '2pck.man' Executables for SGI computers running under IRIX6.5 --------------------------------------------------- were generated by the MIPSpro Fortran 90 compiler Version 7.3 using the flags: f90 -u -O source_files tar-files: The following processor specific versions are available: --------- XDS-IRIX6.5_R4400_INDIGO2.tar XDS-IRIX6.5_R5000_O2.tar XDS-IRIX6.5_R10000_O2.tar XDS-IRIX6.5_R10000_OCTANE.tar XDS-IRIX6.5_R10000_ORIGIN.tar Executables for Digital AlphaServer (4100 5/466 4MB) running under UNIX OSF1 ---------------------------------------------------------------------------- V4.0 were generated by the DIGITAL Fortran 90/95 compiler using the flags: f90 -u -non_shared -convert big_endian -O4 source_files tar-file: XDS-OSF1_big_endian.tar -------- Executables for Intel Pentium III processor i686 running under GNU linux ------------------------------------------------------------------------ were generated by the pgf90 compiler (Portland Group) using the flags: pgf90 -fast -u @ -Wl,-Bstatic source_files tar-file: XDS-linux_IntelPentiumIII.tar -------- Documentation of the XDS-package -------------------------------- user_guide.ps - overview of the XDS-package (postscript file) xds.man - description of the program xds (ASCII-file) xscale.man - description of the program xscale (ASCII-file) xdsconv.man - description of the program xdsconv (ASCII-file) xplan.man - description of the program xplan (ASCII-file) cellparm.man - description of the program cellparm (ASCII-file) 2pck.man - description of the program 2pck (ASCII-file) Templates for "XDS.INP" files for various detectors --------------------------------------------------- XDS-MAR.INP - old MAR-detector XDS-MAR345.INP - MAR345-detector XDS-RAXIS2.INP - R-AXIS II IMAGING PLATE DETECTOR XDS-RAXIS4.INP - R-AXIS IV IMAGING PLATE DETECTOR XDS-DIP2020.INP - MACscience IMAGING PLATE DETECTOR ENRAF NONIUS DIP2020-series (2500 x 2500 pixels) XDS-MARCCD.INP - MAR CCD-detector and (1k X 1k)-CCD used at CHESS XDS-ADSC.INP - ADSC Q4 & Q105 Quantum XDS-SMARTCCD.INP - SMARTCCD detector at BASF Ludwigshafen (BRUKER format) XDS-D2AM.INP - CCD-detector at beamline D2AM at ESRF (Michel Roth) XDS-ESRF.INP - CCD-detector at beamline #3 at ESRF XDS-BRANDEIS_B4.INP - (2k X 2k)-CCD Detector used at Brookhaven beam-line B4 XDS-CCDBRANDEIS.INP - (2080 X 2072)-CCD Detector used at BNL X12c (1k X 1k)-CCD Detector (Walter Phillips) used at BNL XDS-VIDEMETRIX.INP - (512 X 512) VIDEMETRIX CCD-Detector (Walter Phillips) at Brandeis XDS-SIEMENS.INP - X100A SIEMENS Multiwire detector Templates for other programs in the XDS-package ----------------------------------------------- XPLAN.INP - template (example) input file for running xplan XSCALE.INP - template (example) input file for running xscale CELLPARM.INP - template (example) input file for running cellparm XDSCONV.INP - template (example) input file for running xdsconv 2PCK.INP - template (example) input file for running 2pck ============== How to get started with XDS ============= 1. make a new subdirectory to collect the results of data processing; move to this new subdirectory 2. copy an appropriate template file (XDS-MARCCD.INP if you collected your data on a MAR CCD) provided in the "manual" directory to this new subdirectory. Rename the input file into XDS.INP. 3. edit XDS.INP to describe your actual data collection experiment. Consult 'xds.man' for details of the meaning of the input parameters in XDS.INP 4. start 'xds'. Supported detectors: =================== XDS-specific Detector type Template for XDS.INP Image format keyword CCD --- ADSC Q4 & Q105 Quantum XDS-ADSC.INP SMV marCCD marresearch XDS-MARCCD.INP TIFF CCD (1k X 1k) used at CHESS XDS-MARCCD.INP TIFF CCD-detector Bruker XDS-SMARTCCD.INP BRUKER CCD-detector at ESRF beamline D2AM XDS-D2AM.INP CCDD2AM CCD-detector at ESRF beamline #3 XDS-ESRF.INP ESRF CCD (2k X 2k) Brookhaven beam-line B4 XDS-BRANDEIS_B4.INP MAR CCD (2080 X 2072) used at BNL X12c XDS-CCDBRANDEIS.INP CCDBRANDEIS CCD (1k X 1k) BNL Walter Phillips XDS-CCDBRANDEIS.INP CCDBRANDEIS CCD (512 X 512) Walter Phillips XDS-VIDEMETRIX.INP VIDEMETRIX Imaging Plate ------------- old 300 mm MAR marresearch XDS-MAR.INP MAR MAR345 marresearch XDS-MAR345.INP MAR345 RAXIS2 RAXIS XDS-RAXIS2.INP RAXIS RAXIS4 RAXIS XDS-RAXIS4.INP RAXIS DIP2020/DIP2030 Nonius XDS-DIP2020.INP MAC Multiwire --------- X100A Nicolet/Siemens XDS-SIEMENS.INP HARVARD ARGONNE