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Hi Andrzej,<br>
<br>
you are the first who's reporting TLS related error for the last few
years, so this must be really weird. <br>
To fix this problem and explain you what's wrong, I need to reproduce
it myself on my computer.<br>
Could you please send me (not to the whole bb) the PDB file or its
fragment along with the exact command you use.<br>
<br>
If you send the fragment of your PDB file, please make sure the error
still happen.<br>
<br>
As always, I will use your data for debugging only and I will discard
it afterwards; I will keep it confidential.<br>
<br>
Thanks,<br>
Pavel.<br>
<br>
<br>
<br>
On 5/16/2008 9:31 AM, Jendrek wrote:
<blockquote cite="mid:482DB6EF.4080205@gmail.com" type="cite">Hi,
<br>
<br>
I would like to do TLS but every time I try to start it I get
following error:
<br>
File
"/usr/local/cci_apps/cci_apps_sources/phenix/phenix/command_line/refine.py",
line 5, in <module>
<br>
command_line.run(command_name="phenix.refine", args=sys.argv[1:])
<br>
File
"/usr/local/cci_apps-1421/cci_apps_sources/phenix/phenix/refinement/command_line.py",
line 69, in run
<br>
overwrite =
command_line_interpreter.command_line.options.overwrite)
<br>
File
"/usr/local/cci_apps-1421/cci_apps_sources/phenix/phenix/refinement/driver.py",
line 199, in __init__
<br>
value = 0.0)
<br>
File
"/usr/local/cci_apps-1421/cci_apps_sources/mmtbx/mmtbx/tls/tools.py",
line 735, in generate_tlsos
<br>
origins.append(xrs.center_of_mass())
<br>
File
"/usr/local/cci_apps-1421/cci_apps_sources/cctbx/cctbx/xray/structure.py",
line 943, in center_of_mass
<br>
return self.sites_cart().mean_weighted(weights=atomic_weights)
<br>
RuntimeError: mean_weighted() argument is an empty array
<br>
<br>
I've attached my input file.
<br>
Any suggestions on what I'm doing wrong would be greatly appreciated.
<br>
<br>
Regards, Andrzej
<br>
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