Thursday, 28 February 2013

xia2 release

Now available from


Changes since dealing with huge data sets
  • If single sweep, do not rebatch.
  • Replace CCP4 Mtzdump with CCTBX-powered equivalent.
  • If reindex for changing spacegroup name but not indices (i.e. no REINDEX= card) then use CCTBX-powered replacement.
  • Cleaned up repository by pulling xia2core into xia2/core.
  • Patched against dxtbx being included in Phenix. (temporary)
Changes since CCP4 patch release
  • Resolution limit calculation now delegated to resolutionizer.
  • Twinning test now uses CCTBX code not sfcheck.
  • PythonDriver added to support execution of Python code as separate process.
N.B. the installation procedure has changed slightly reflecting the simplification of the code structure:

Since everything is Python using cctbx, the only requirement is to export XIA2_ROOT to point to the directory where xia2 was unpacked (including the xia2- bit) and then source $XIA2_ROOT/setup.(c)sh.

I am working on making even this go away... as always, comments / questions to

No comments: