Friday, 14 October 2011


Have been working on including Aimless from Phil Evans (his "Pointless" replacement for Scala) and if you would like to try this out, the code is now in the trunk. Usual svn checkout, download aimless 0.1.4 or later from Phil's FTP site, then run -2da.

Early results show that it makes the overall xia2 pipeline quite a bit faster, while maintaining the quality of results. Worth looking at.

Monday, 3 October 2011

xia2 release

Hi Folks, release of xia2 is now available - which includes a bunch of useful fixes but fundamentally no new functionality:

Changes since

Many bug fixes as a result of implementing a comprehensive testing scheme.
Support for full cbf format, making use of cbflib Python bindings pycbf now included in cctbx releases.
Merged functionality from XDSIntegraterR into XDSIntegrater, removed duplicate code. Will make for more maintainable suite in the future.
Improved 2d pipeline scaling, now tests 8 permutations.
Improved handling of twinned data for multiple sweeps.
Fixed occasional bugs with multiple sweeps, reindexing trigonal data sets with XDS.
Removed "old" scaling modes, 2d and 3d, as these were unhelpful.
Changes since

-xparallel -1 option added which will split your data into 30 degree chunks and process with forkintegrate Note well you are responsible for setting up forkintegrate correctly!