[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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