<div dir="ltr">Thanks a lot peter<br>Here they are<br><span class="HcCDpe"><span class="lDACoc"><a href="http://mango.biochem.brandeis.edu/~hari/cy_p10_2_28.1_unique1.mtz">http://mango.biochem.brandeis.edu/~hari/cy_p10_2_28.1_unique1.mtz</a><br>
<br>And<br><a href="http://mango.biochem.brandeis.edu/~hari/cy_p10_2_28.1.pdb">http://mango.biochem.brandeis.edu/~hari/cy_p10_2_28.1.pdb</a><br><br>Let please do not hesitate to let me know if you need anything else.<br><br>
Hari<br><br></span></span><div class="gmail_quote">On Tue, Aug 12, 2008 at 4:09 PM, Peter Zwart <span dir="ltr"><<a href="mailto:PHZwart@lbl.gov">PHZwart@lbl.gov</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi,<br>
<br>
can you send me data and model? That will make it easy to debug.<br>
<br>
P<br>
<br>
2008/8/12 hari jayaram <<a href="mailto:harijay@gmail.com">harijay@gmail.com</a>>:<br>
<div><div></div><div class="Wj3C7c">> Hi I have discovered that my data in the P3 spacegroup is potentially<br>
> twinned. Truncate and phenix.xtriage indicate that the twin fraction is<br>
> pretty high ( between 0.35 and 0.42).<br>
> I am still new to twinned data refinement and still dont know which twin law<br>
> to pick from the three possibilities for P3 that xtriage lists.<br>
><br>
> I am emailing because , Regardless of the twin law I try , phenix.refine<br>
> crashes with a Segmentation fault on my Mac Pro leopard 10.5.2 running<br>
> phenix. 1.3b-rc6<br>
> The command that ends with a Python crash and segmentation fault is<br>
><br>
> Command used:<br>
><br>
> phenix.refine cy_p10_2_28.1.pdb cy_p10_2_28.1_unique1.mtz<br>
> simulated_annealing=true model.ncs refinement.main.ncs=true --overwrite<br>
> refinement.ncs.excessive_distance_limit=None<br>
> strategy=group_adp+individual_sites twin_law='-h,-k,l'<br>
> refinement.input.xray_data.labels=F_p10-2,SIGF_p10-2 ><br>
> phenix_run2_mhmkl_simulanneal.log<br>
><br>
><br>
> phenix.xtriage outputs<br>
><br>
> Statistics depending on twin laws<br>
> ------------------------------------------------------------------<br>
> | Operator | type | R obs. | Britton alpha | H alpha | ML alpha |<br>
> ------------------------------------------------------------------<br>
> | -h,-k,l | M | 0.100 | 0.406 | 0.407 | 0.393 |<br>
> | h,-h-k,-l | M | 0.071 | 0.426 | 0.439 | 0.458 |<br>
> | -k,-h,-l | M | 0.090 | 0.411 | 0.417 | 0.415 |<br>
> ------------------------------------------------------------------<br>
><br>
> Can you tell me if there is something I am doing wrong .<br>
> Thanks a tonne for your help<br>
> Hari Jayaram<br>
> Postdoc , Brandeis University<br>
><br>
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<br>
<br>
<br>
--<br>
-----------------------------------------------------------------<br>
P.H. Zwart<br>
Beamline Scientist<br>
Berkeley Center for Structural Biology<br>
Lawrence Berkeley National Laboratories<br>
1 Cyclotron Road, Berkeley, CA-94703, USA<br>
Cell: 510 289 9246<br>
BCSB: <a href="http://bcsb.als.lbl.gov" target="_blank">http://bcsb.als.lbl.gov</a><br>
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</blockquote></div><br></div>