Hi Andrzej,

you are the first who's reporting TLS related error for the last few years, so this must be really weird.
To fix this problem and explain you what's wrong, I need to reproduce it myself on my computer.
Could you please send me (not to the whole bb) the PDB file or its fragment along with the exact command you use.

If you send the fragment of your PDB file, please make sure the error still happen.

As always, I will use your data for debugging only and I will discard it afterwards; I will keep it confidential.

Thanks,
Pavel.

On 5/16/2008 9:31 AM, Jendrek wrote:

Hi,

I would like to do TLS but every time I try to start it I get following error:
File "/usr/local/cci_apps/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 "/usr/local/cci_apps-1421/cci_apps_sources/phenix/phenix/refinement/command_line.py", line 69, in run
    overwrite = command_line_interpreter.command_line.options.overwrite)
File "/usr/local/cci_apps-1421/cci_apps_sources/phenix/phenix/refinement/driver.py", line 199, in __init__
    value          = 0.0)
File "/usr/local/cci_apps-1421/cci_apps_sources/mmtbx/mmtbx/tls/tools.py", line 735, in generate_tlsos
    origins.append(xrs.center_of_mass())
File "/usr/local/cci_apps-1421/cci_apps_sources/cctbx/cctbx/xray/structure.py", line 943, in center_of_mass
    return self.sites_cart().mean_weighted(weights=atomic_weights)
RuntimeError: mean_weighted() argument is an empty array

I've attached my input file.
Any suggestions on what I'm doing wrong would be greatly appreciated.

Regards, Andrzej
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