Oliver,<div><br></div><div>I'll have a look at this and possibly contact you for additional information offline.</div><div><br></div><div>Nick Sauter<br><br><div class="gmail_quote">On Fri, Apr 20, 2012 at 1:50 AM, "Weiergräber, Oliver H." <span dir="ltr"><<a href="mailto:o.h.weiergraeber@fz-juelich.de">o.h.weiergraeber@fz-juelich.de</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello,<br>
<br>
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.<br>
When I used the new asymmetric unit content file (xyz_coset0.pdb) to force indexing in the new SG:<br>
labelit.index /path/to/my/images/template_####.img 1 90 compatibility_file=xyz_coset0.pdb,<br>
the program crashes with<br>
<br>
AttributeError: 'NoneType' object has no attribute 'mosaicity_spot_coverage'<br>
<br>
This happens with the version included in phenix-1.7.3 as well as with the latest standalone labelit package.<br>
<br>
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.<br>
<br>
Best regards<br>
<br>
<br>
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</blockquote></div><br><br clear="all"><div><br></div>-- <br>Nicholas K. Sauter, Ph. D.<br>Computer Staff Scientist, Physical Biosciences Division<div>Acting Head, Berkeley Center for Structural Biology<br>Lawrence Berkeley National Laboratory<br>
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