Monday 27 February 2012

xia2 0.3.4 release

xia2 0.3.4.0 is now available from the usual places, changes below. I would now suggest people get Aimless (and a new Pointless) from Phil Evans:

ftp://ftp.mrc-lmb.cam.ac.uk

and run -2da / -3da / -3daii

As always, any problems please drop an email to xia2.support@gmail.com

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Changes since 0.3.3.4
 - Use Phil to override XDS parameters.
 - Mended issue on OS X Lion with default -parallel (was coming out at 1)
 - Use Pointless in place of Reindex; Aimless in place of Scala; no limit to number of batches which can be processed.

Changes since 0.3.3.3

 - Fixed bug in polarization correction vector for Pilatus data.
 - Fixed bug relating to assigning spacegroup on command-line.
 - Begun work on supporting Pilatus 300K for small molecule crystallography. Have now successfully processed data from Diamond Light Source beamline I19 EH2. N.B. Only works -3dii!

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