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Joint Research Group Macromolecular Crystallography

Software Requirements

  • Mandatory programs
    * Qt5
    * PyQt5
    * Python 3.7 or newer
    * Matplotlib
    * XDS (Kabsch, 2010)
  • Strongly recommended
    * CCP4 suite (especially POINTLESS (Evans, 2006),
    * SFCHECK (Vaguine et al., 1999), CAD, F2MTZ)
    * PHENIX.XTRIAGE (Adams et al., 2010)
  • Recommended
    * xds-viewer
    or
    * albula
    * XDSSTAT
  • Auxiliary
    * xds2sad
    * generate_adx

    For Dectris EIGER Detectors:
  • preferred:
    * dectris-neggia
    or
    * durin-plugin
    * h5dump from HD5 tools must be installed (see specific installation instructions, too)
  • also posible, but not recommended:
    * albula-api with dectris-neggia (Dectris, Linux only)
    with modified and included XDS_from_H5.py (original)
    * eiger2cfb  (least recommended)

    XDSAPP3 will use CCP4 and other programs for statistical checks and data conversion. If they are missing, those steps will be skipped and a warning will be issued.
    For licensing reasons, these programs cannot be included in the installation file for XDSAPP3.

XDSAPP3 has been tested on the following operating systems (list is not complete):

  • RHEL 6 - 7
  • CentOS 6
  • KUbuntu 20
  • Ubuntu 20
  • openSUSE 15
  • Mac OS X 10.13 - 14.6 (Intel & Apple M1)
  • WSL2 with Ubuntu 20