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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

On Wed, Aug 24, 2011 at 5:10 AM, James Whittle
<[log in to unmask]>wrote:

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



-- 
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