[phenixbb] twin refinement error

Pavel Afonine PAfonine at lbl.gov
Wed Apr 8 08:11:21 PDT 2009


Hi Jonathan,

this is a bug and it is fixed already. Please use one of the latest 
development versions of PHENIX:

https://www.phenix-online.org/download/phenix/nightly/

Pavel.


On 4/8/09 8:02 AM, jonathan elegheert wrote:
> Dear Phenix developers,
>
> I am rigid-body refining a PM-twinned structure (C2221 => P6x22) with 
> the operators suggested from xtriage or SFcheck but I keep running into 
> this same error (version 1.4.3 or latest cci aps bundles);
>
> 1/2*h-1/2*k,-3/2*h-1/2*k,-l
> 1/2*h+1/2*k,3/2*h-1/2*k,-l
>
> Any suggestions as to how I can resolve this?
>
> Many thanks in advance,
>
> Jonathan Elegheert
> PhD student
> Ghent University
> Belgium
>
> -------------------------------------------------------------------------
>
> Traceback (most recent call last):
>   File 
> "/usr/local/cciapps/cci_apps_sources/phenix/phenix/command_line/refine.py", 
> line 16, in <module>
>     command_line.run(command_name="phenix.refine", args=sys.argv[1:])
>   File 
> "/usr/local/cciapps/cci_apps_sources/phenix/phenix/refinement/command_line.py", 
> line 89, in run
>     call_back_after_monitor_collect=call_back_after_monitor_collect)
>   File 
> "/usr/local/cciapps/cci_apps_sources/phenix/phenix/refinement/driver.py", 
> line 1121, in run
>     call_back_after_monitor_collect = call_back_after_monitor_collect)
>   File 
> "/usr/local/cciapps/cci_apps_sources/phenix/phenix/refinement/strategies.py", 
> line 190, in refinement_machine
>     twin_law = sgtbx.rt_mx( params.twinning.twin_law )
> RuntimeError: cctbx InternalError: 
> /net/garter/scratch1/rwgk/auto_build/sources/cctbx/sgtbx/rt_mx.cpp(230): 
> Unsuitable value for rational rotation matrix.
>
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>   



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