> Hi I have discovered that my data in the P3 spacegroup is potentially
> twinned. Truncate and phenix.xtriage indicate that the twin fraction is
> pretty high ( between 0.35 and 0.42).
> I am still new to twinned data refinement and still dont know which twin law
> to pick from the three possibilities for P3 that xtriage lists.
>
> I am emailing because , Regardless of the twin law I try , phenix.refine
> crashes with a Segmentation fault on my Mac Pro leopard 10.5.2 running
> phenix. 1.3b-rc6
> The command that ends with a Python crash and segmentation fault is
>
> Command used:
>
> phenix.refine cy_p10_2_28.1.pdb cy_p10_2_28.1_unique1.mtz
> simulated_annealing=true model.ncs refinement.main.ncs=true --overwrite
> refinement.ncs.excessive_distance_limit=None
> strategy=group_adp+individual_sites twin_law='-h,-k,l'
> refinement.input.xray_data.labels=F_p10-2,SIGF_p10-2 >
> phenix_run2_mhmkl_simulanneal.log
>
>
> phenix.xtriage outputs
>
> Statistics depending on twin laws
> ------------------------------------------------------------------
> | Operator | type | R obs. | Britton alpha | H alpha | ML alpha |
> ------------------------------------------------------------------
> | -h,-k,l | M | 0.100 | 0.406 | 0.407 | 0.393 |
> | h,-h-k,-l | M | 0.071 | 0.426 | 0.439 | 0.458 |
> | -k,-h,-l | M | 0.090 | 0.411 | 0.417 | 0.415 |
> ------------------------------------------------------------------
>
> Can you tell me if there is something I am doing wrong .
> Thanks a tonne for your help
> Hari Jayaram
> Postdoc , Brandeis University
>