<blockquote style="margin:0 0 0 40px;border:none;padding:0px"></blockquote>I'm trying to run phenix.cif_as_mtz on a large number of PDB entries, and several entries give me an assertion error. The example below is from 8icz, but the error always seems to be the same.<div>
<br><blockquote style="margin:0 0 0 40px;border:none;padding:0px">Traceback (most recent call last):<br> File "/media/funky/phenix-1.8-1069/build/intel-linux-2.6/../../cctbx_project/mmtbx/command_line/cif_as_mtz.py", line 544, in <module><br>
run(sys.argv[1:])<br> File "/media/funky/phenix-1.8-1069/build/intel-linux-2.6/../../cctbx_project/mmtbx/command_line/cif_as_mtz.py", line 135, in run<br> incompatible_flags_to_work_set=command_line.options.incompatible_flags_to_work_set)<br>
File "/media/funky/phenix-1.8-1069/build/intel-linux-2.6/../../cctbx_project/mmtbx/command_line/cif_as_mtz.py", line 197, in process_files<br> r_free_flags = r_free_flags).mtz_object()<br> File "/media/funky/phenix-1.8-1069/cctbx_project/mmtbx/utils.py", line 2001, in __init__<br>
skip_twin_detection = True)<br> File "/media/funky/phenix-1.8-1069/cctbx_project/mmtbx/utils.py", line 2113, in get_r_factor<br> twin_laws = twin_laws)<br> File "/media/funky/phenix-1.8-1069/cctbx_project/mmtbx/utils.py", line 1556, in fmodel_simple<br>
assert f_obs.sys_absent_flags().data().count(True)==0<br><br></blockquote>Any ideas? Thanks. :)</div><div><br></div><div>Eric Williams</div><div>PhD candidate</div><div>Intelligent Systems Program</div><div>University of Pittsburgh</div>