xia2 0.3.6.0 release

Now available from xia2.sf.net:

xia2 0.3.6.0


Changes since 0.3.5.2: 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 0.3.5.1: 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 xia2-0.3.6.0 bit) and then source $XIA2_ROOT/setup.(c)sh.

I am working on making even this go away... as always, comments / questions to xia2.support@gmail.com.