Nick Sauter

On Fri, Apr 20, 2012 at 1:50 AM, "Weiergräber, Oliver H." <o.h.weiergraeber@fz-juelich.de> wrote:

Hello,

I have used labelit.check_pdb_symmetry to evaluate a P1 dataset and model for possible higher symmetry. C2 turned out to be a candidate solution.
When I used the new asymmetric unit content file (xyz_coset0.pdb) to force indexing in the new SG:
labelit.index /path/to/my/images/template_####.img 1 90 compatibility_file=xyz_coset0.pdb,
the program crashes with

AttributeError: 'NoneType' object has no attribute 'mosaicity_spot_coverage'

This happens with the version included in phenix-1.7.3 as well as with the latest standalone labelit package.

Any ideas what might be causing this? Maybe the new cell fails to refine? It is absolutely possible that forcing the higher symmetry SG leads to significant positional rmsd - I actually believe that P1 is correct, but it's definitly not far from C2.

Best regards

================================================
PD Dr. Oliver H. Weiergräber
Institute of Complex Systems
ICS-6: Structural Biochemistry
Tel.: +49 2461 61-2028
Fax: +49 2461 61-1448
================================================

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--
Nicholas K. Sauter, Ph. D.
Computer Staff Scientist, Physical Biosciences Division

Acting Head, Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratory
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