[phenixbb] twin refinement error

[jonathan elegheert]

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.