[phenixbb] AssertionError & TLS

Kanchan Anand anand at embl.de
Fri Jun 1 06:30:38 PDT 2007


Hello everybody,

I am a new user of Phenix and presently trying to refine 3.6 A data of a 
protein-RNA complex.
whenever i add tls into my .def file for the next run, i get this problem:

Traceback (most recent call last):
 File "/data/software/phenix-1.3b/phenix/phenix/command_line/refine.py", 
line 5 , in <module>
   command_line.run(command_name="phenix.refine", args=sys.argv[1:])
 File 
"/data/software/phenix-1.3b/phenix/phenix/refinement/command_line.py", 
li ne 78, in run
   call_back_after_monitor_collect=call_back_after_monitor_collect)
 File "/data/software/phenix-1.3b/phenix/phenix/refinement/driver.py", 
line 130 8, in run
   log                     = log)
 File 
"/data/software/phenix-1.3b/phenix/phenix/refinement/strategies.py", 
line  887, in refinement_machine
   h_params                  = h_params)
 File 
"/data/software/phenix-1.3b/mmtbx/mmtbx/refinement/adp_refinement.py", 
li ne 160, in __init__
   tools.split_u(fmodel.xray_structure, tls_selections, offset)
 File "/data/software/phenix-1.3b/mmtbx/mmtbx/tls/tools.py", line 468, 
in split _u
   assert (u_iso < 0.0).count(True) == 0
AssertionError

I have downloaded the new 1.3b version and without tls the program runs 
fine!

could you please help

Thanks in advance
Regards
kanchan



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