[phenixbb] AssertionError at asking for kicked maps
Jorge Iulek
iulek at uepg.br
Wed Apr 9 10:25:31 PDT 2014
Dear all,
It would be nice to have kicked maps for a structure I am working
with now. When I set then to True, I get in my log:
"
...
shake map coefficients cycles:
0
1
2
3
4
5
6
7
8
9
shake f_model cycles:
approx_equal eps: 1e-06
approx_equal multiplier: 10000000000.0
0.231506183818 approx_equal ERROR
0.235167389229 approx_equal ERROR
Traceback (most recent call last):
File
"/usr/local/phenix-1.8.4-1496/build/intel-linux-2.6-x86_64/../../phenix/phenix/command_line/refine.py",
line 11, in <module>
command_line.run(command_name="phenix.refine", args=sys.argv[1:])
File
"/usr/local/phenix-1.8.4-1496/phenix/phenix/refinement/command_line.py",
line 177, in run
map_manger.write_files()
File
"/usr/local/phenix-1.8.4-1496/phenix/phenix/refinement/driver.py", line
1780, in write_files
map_coeff_dataset=self.write_mtz_file(),
File
"/usr/local/phenix-1.8.4-1496/phenix/phenix/refinement/driver.py", line
1766, in write_mtz_file
pdb_hierarchy=self.refine_object.model.pdb_hierarchy())
File
"/usr/local/phenix-1.8.4-1496/cctbx_project/mmtbx/maps/__init__.py",
line 515, in __init__
pdb_hierarchy = pdb_hierarchy)
File
"/usr/local/phenix-1.8.4-1496/cctbx_project/mmtbx/maps/__init__.py",
line 439, in map_coefficients_from_fmodel
map_type = params.map_type).map_coefficients
File
"/usr/local/phenix-1.8.4-1496/cctbx_project/mmtbx/maps/__init__.py",
line 650, in __init__
assert approx_equal(fmodel.r_work(), fmodel_dc.r_work())
AssertionError
"
I see a previous problem like this at
http://www.phenix-online.org/pipermail/phenixbb/2009-July/013517.html ,
but I cannot find a follow up concerning how to solve it. I am using the
latest stable version, phenix-1.8.4-1496 , under openSuSE 12.3.
When I set kicked maps to false, everything goes fine.
Can this be solved? Also, a point to a former version that can
"kick" would be enough.
Thanks,
Jorge
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