[phenixbb] Problem starting TLS refinement

Jendrek alnyds at gmail.com
Fri May 16 09:31:43 PDT 2008


  I would like to do TLS but every time I try to start it I get following error:
line 5, in <module>
     command_line.run(command_name="phenix.refine", args=sys.argv[1:])
line 69, in run
     overwrite = command_line_interpreter.command_line.options.overwrite)
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
"/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
	Andrzej LYSKOWSKI, Ph.D. (andrzej[.]lyskowski[@]helsinki[.]fi)
	Institute of Biotechnology - Structural Biology & Biophysics
	P. O. Box 65, Viikinkaari 1
	FIN-00014 University of HELSINKI, FINLAND
	TEL.: 358 9 191 58955
	FAX : 358 9 191 59940
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