[phenixbb] phenix.refine crash

[Jianghai Zhu]

Hi,

I was using phenix.refine from the latest cci apps bundle to do tls 
+individual_sites+individual_adp refinement.  The program crashed  
with the following error message.

              ----------Target weights (before refinement)----------

Traceback (most recent call last):
   File "/nfs/home/jzhu/cci_apps_sources/phenix/phenix/command_line/ 
refine.py", line 5, in <module>
     command_line.run(command_name="phenix.refine", args=sys.argv[1:])
   File "/nfs/home/jzhu/cci_apps_sources/phenix/phenix/refinement/ 
command_line.py", line 75, in run
     call_back_after_monitor_collect=call_back_after_monitor_collect)
   File "/nfs/home/jzhu/cci_apps_sources/phenix/phenix/refinement/ 
driver.py", line 1108, in run
     log                     = log)
   File "/nfs/home/jzhu/cci_apps_sources/phenix/phenix/refinement/ 
strategies.py", line 245, in refinement_machine
     log                           = log)
   File "/nfs/home/jzhu/cci_apps_sources/phenix/phenix/refinement/ 
weight_xray_chem.py", line 222, in __init__
     compute_gradients = True)
   File "/nfs/home/jzhu/cci_apps_sources/mmtbx/mmtbx/restraints.py",  
line 144, in energies_adp_aniso
     xray_structure = xray_structure,
   File "/nfs/home/jzhu/cci_apps_sources/cctbx/cctbx/adp_restraints/ 
__init__.py", line 109, in __init__
     self.check_flags(fl_i)
   File "/nfs/home/jzhu/cci_apps_sources/cctbx/cctbx/adp_restraints/ 
__init__.py", line 177, in check_flags
     assert not fl.use_u_aniso()
AssertionError

Anyone has any idea what is happening?  Thanks.

Jianghai

+++++++++++++++++++++++++++++++
Jianghai Zhu, Ph.D
CBR Institute for Biomedical Research
Department of Pathology
Harvard Medical School
200 Longwood Ave., Boston, MA 02115
Ph: 617-278-3211
Fx: 618-278-3232
+++++++++++++++++++++++++++++++



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