[phenixbb] Problem starting TLS refinement
Jendrek
alnyds at gmail.com
Fri May 16 09:31:43 PDT 2008
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
--
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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