LABELIT with XDS

From: James Whittle
Date: 24 August 2011 13:10

Dear all,

I'm able to index my images in LABELIT. Is it possible to use that
indexing solution in XDS?

James

----------
From: Boaz Shaanan
Date: 2011/8/24

Hi,

I apologise for the empty message. If you take the cell dimensions that you got in LABELIT into XDS it should work. I guess you couldn't get XDS to index from fresh, is that correct?

         Boaz

----------
From: Nicholas Sauter
Date: 24 August 2011 18:12

James,

After indexing the images with LABELIT it is possible to write out an XPARM.XDS file that defines the unit cell, orientation, and beam parameters.  

For example, index an image first:

labelit.index lysozyme_001.img --index_only

This gives several possible Bravais lattice solutions...e.g. triclinic=1; tetragonal=9.  Suppose you want XDS parameters for the tetragonal setting:

labelit.xds_xparm 9

That outputs the XPARM.XDS file.  I'd like to get any feedback from the community...this feature was added to Labelit in March 2011.

Nick Sauter

--
Nicholas K. Sauter, Ph. D.
Computer Staff Scientist/Engineer
Physical BioSciences Division
Lawrence Berkeley National Laboratory
1 Cyclotron Rd., Bldg. 64R0121
Berkeley, CA 94720-8118
(510) 486-5713