[phenixbb] twin refine error message
Alex Taylor
taylor at biochem.uthscsa.edu
Thu Mar 26 08:44:47 PDT 2009
Hi,
I am trying to refine using the following twin operators output from
xtriage for C2221
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
but phenix.refine (vers 1.4-4 and 1.4-3) fails with the following error
message:
=============================== refinement start
==============================
Traceback (most recent call last):
File
"/usr/progs/linux/phenix-1.4-4/phenix/phenix/command_line/refine.py",
line 18, in <module>
command_line.run(command_name="phenix.refine", args=sys.argv[1:])
File
"/usr/progs/linux/phenix-1.4-4/phenix/phenix/refinement/command_line.py",
line 89, in run
call_back_after_monitor_collect=call_back_after_monitor_collect)
File
"/usr/progs/linux/phenix-1.4-4/phenix/phenix/refinement/driver.py", line
1121, in run
call_back_after_monitor_collect = call_back_after_monitor_collect)
File
"/usr/progs/linux/phenix-1.4-4/phenix/phenix/refinement/strategies.py",
line 191, in refinement_machine
twin_law = sgtbx.rt_mx( params.twinning.twin_law )
RuntimeError: cctbx InternalError:
/net/anaconda/scratch1/phenix/phenix-1.4-4/cctbx_project/cctbx/sgtbx/rt_mx.cpp(230):
Unsuitable value for rational rotation matrix.
I am running the RedHat WS 5.2 64-bit OS.
Thanks for suggestions,
Alex
--
Alex Taylor, Ph.D.
Technical Director, X-ray Crystallography Core Laboratory
University of Texas Health Science Center at San Antonio
Office: 210-567-3781 FAX: 210-567-6595
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