Well, while we're on this topic, I was just starting to try phenix-rosetta on a mac, and after following the instructions online I get this error message:
mcdbx-horowsah:120813/1to8p4122fromqinping/phenix_refine] horowsah% phenix.rosetta_refine 1to8norm10_refine_17-coot-1nohnoe.pdb zn-truncate-unique.mtz nproc=4 protocol=hires
Output directory:
/Users/horowsah/Documents/Bardwell Lab Work/spy/xtalstrucs/120813/1to8p4122fromqinping/phenix_refine/rosetta_6
=========================== Importing data and flags ==========================
----------Scaling input intensities via French-Wilson Method----------
Trying 60 bins...
Number of bins = 60
** Calculating bin mean intensity values for each intensity **
** Total # rejected intensities: 0 **
----------Setting up input files for Rosetta----------
/rosetta/rosetta_2013wk49_bundle/main/source
----------Loading model and data----------
Traceback (most recent call last):
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/build/mac-intel-osx-x86_64/../../phenix/phenix/command_line/rosetta_refine.py", line 330, in <module>
run(sys.argv[1:], create_dir=True)
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/build/mac-intel-osx-x86_64/../../phenix/phenix/command_line/rosetta_refine.py", line 327, in run
create_dir=create_dir)
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/build/mac-intel-osx-x86_64/../../phenix/phenix/command_line/rosetta_refine.py", line 127, in __init__
self.run_rosetta_scripts()
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/build/mac-intel-osx-x86_64/../../phenix/phenix/command_line/rosetta_refine.py", line 181, in run_rosetta_scripts
debug=self.params.runtime.debug)
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/phenix/phenix/rosetta/refine.py", line 287, in __init__
r_free_flags=r_free_flags)
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/cctbx_project/mmtbx/utils/__init__.py", line 1802, in fmodel_simple
ro = outliers_rejection,om=optimize_mask, ofp1=False)
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/cctbx_project/mmtbx/utils/__init__.py", line 1788, in get_fmodel
twin_law = tl)
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/cctbx_project/mmtbx/utils/__init__.py", line 1707, in fmodel_manager
n_resolution_bins_output = n_resolution_bins_output)
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/cctbx_project/mmtbx/f_model.py", line 432, in __init__
if(f_calc is None): f_calc = self.compute_f_calc(miller_array=f_obs)
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/cctbx_project/mmtbx/f_model.py", line 518, in compute_f_calc
exp_table_one_over_step_size = p.exp_table_one_over_step_size)
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/cctbx_project/cctbx/miller/__init__.py", line 1374, in structure_factors_from_scatterers
algorithm=algorithm)
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/cctbx_project/cctbx/xray/structure_factors/from_scatterers.py", line 53, in __call__
algorithm=algorithm) # passing algorithm allows f to decide on CPU/GPU implementation
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/cctbx_project/cctbx/xray/structure_factors/from_scatterers_fft.py", line 18, in __init__
manager, xray_structure, miller_set, algorithm="fft")
File "//Applications/PHENIX-1.8.4-1496/Contents/phenix-1.8.4-1496/cctbx_project/cctbx/xray/structure_factors/manager.py", line 234, in __init__
assert xray_structure.space_group() == miller_set.space_group()
AssertionError