Hi Ralf, Thanks a lot for the info. I downloaded the latest phenix version for MAC; we I ran it I got this error message. toshow_stack(1): /usr/local/phenix-1.4-159/cctbx_project/cctbx/sgtbx/ __init__.py(79) __init__ show_stack(2): /usr/local/phenix-1.4-159/cctbx_project/iotbx/mtz/ __init__.py(181) space_group_info show_stack(3): /usr/local/phenix-1.4-159/cctbx_project/iotbx/mtz/ __init__.py(677) crystal_symmetry show_stack(4): /usr/local/phenix-1.4-159/cctbx_project/iotbx/mtz/ crystal_symmetry_from_mtz.py(9) extract_from show_stack(5): /usr/local/phenix-1.4-159/cctbx_project/iotbx/ crystal_symmetry_from_any.py(73) extract_from show_stack(6): /usr/local/phenix-1.4-159/cctbx_project/iotbx/ crystal_symmetry_from_any.py(87) extract_and_append show_stack(7): /usr/local/phenix-1.4-159/phenix/phenix/refinement/ command_line.py(462) process_args show_stack(8): /usr/local/phenix-1.4-159/phenix/phenix/refinement/ command_line.py(208) __init__ show_stack(9): /usr/local/phenix-1.4-159/phenix/phenix/refinement/ command_line.py(68) run show_stack(10): /usr/local/phenix-1.4-159/phenix/phenix/command_line/ refine.py(11) <module> Bus error (Python call stack above) This crash may be due to a problem in any imported Python module, including modules which are not part of the cctbx project. To disable the traps leading to this message, define these environment variables (e.g. assign the value 1): BOOST_ADAPTBX_FPE_DEFAULT BOOST_ADAPTBX_SIGNALS_DEFAULT This will NOT solve the problem, just mask it, but may allow you to proceed in case it is not critical. Defining the variables did not help. Could you please advise. Thanks, Esmael On Sep 8, 2009, at 4:02 PM, Ralf W. Grosse-Kunstleve wrote:
Does phenix have SA-torsion angle refinement option similar to what is available in CNS?
Yes, with a recent installer (less than a week or two old) you can try it out by adding
simulated_annealing_torsion=True
in addition to the other settings for turning on simulated annealing.
There are some known problems that I didn't have a chance to fix yet, but if it doesn't crash it should be OK. If you get a crash or weird results, let me know.
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