Tuesday 27 July 2010

0.3.1.7 release

Somewhat overdue, done in a hurry to get the just mentioned fix out:


Changes since 0.3.1.6
  • Changes suitable for working on microcrystals - reachable through a -microcrystal command line flag, and -failover is probably helpful too.
  • If lattice or spacegroup specified, do not run tests.
  • 2dr and 3dr now the default pipelines - use 2dold or 3dold if you need to get to the old pipelines.
  • Fixed selection of known lattice in IDXREF reindexing.
Please get in touch if you would like more information on the microcrystal option - this is definitely work in progress...

Problematic indexing when setting spacegroup

So, following a user problem I have tracked down an issue in the indexing with XDS: if you specify the lattice to use but this has rather a high penalty, the solution will be mangled. This is a bad thing. Now I have tracked down where this was going wrong and fixed it!