Oliver, I'll have a look at this and possibly contact you for additional information offline. Nick Sauter On Fri, Apr 20, 2012 at 1:50 AM, "Weiergräber, Oliver H." < [email protected]> 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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