Wednesday, 14 November 2012

xia2 release

Can be found in the usual place - updates:

Changes since
  • -hdr_in mode - pass in text file containing image header. Can also generate this file with xia2 with -hdr_out example.hdr
  • -xparm_ub mode for XDS processing only, provide a UB matrix (XDS XPARM file) to match the orientation to: primarily useful if you record data from several regions on a sample, and the sample has close-to symmetry (i.e. you almost certainly don't need this)
  • Removed usage of BINSORT_SCR as this is being deprecated by CCP4.
  • Allow Phil overrides on selection of autoindexing solutions, where indexing can give large variations in unit cell constants (e.g. low resolution virus data)
  • Properly set the resolution in CAD copying free R flags.
  • Allow access to profile grid size through the Phil interface: xds.parameter.profile_grid_size = 13, 13
  • Implement TRUSTED_REGION through Phil as suggested by Luca Jovine
  • Updates to process simulated data from SIM_MX
  • More measures of anomalous signal in output.
  • Corrected citations in output
  • Replaced TRUNCATE with CTRUNCATE
Download has also slimmed down a little, as a lot of cruft has been removed. As always, please shout to if you have any trouble.