[cctbxbb] float error

[Alexander.Schiffer@sanofi-aventis.com]

Dear all,

I am trying to detwin a dataset using mmtbx.xtriage but when I run the program with the following command:

mmtbx.xtriage data.mtz n_residues=1341 log=detwin.log hklout=data_detwin.mtz symmetry.action=detwin symmetry.twinning_parameters.twin_law=-h-k,k,-l twinning.twinning_parameters.fraction=0.41

I get this message:

Attempting to detwin data
-------------------------
Detwinning data with:
  - twin law:      -h-k,k,-l

BE WARNED! DETWINNING OF DATA DOES NOT SOLVE YOUR TWINNING PROBLEM!
PREFERABLY, REFINEMENT SHOULD BE CARRIED OUT AGAINST ORIGINAL DATA
ONLY USING A TWIN SPECIFIC TARGET FUNCTION!

Traceback (most recent call last):
  File "/soft/ccp4/cctbx/cctbx_sources/mmtbx/mmtbx/command_line/xtriage.py", line 5, in <module>
    xtriage.run(command_name="mmtbx.xtriage", args=sys.argv[1:])
  File "/soft/ccp4/cctbx/cctbx_sources/mmtbx/mmtbx/scaling/xtriage.py", line 691, in run
    out=log)
  File "/soft/ccp4/cctbx/cctbx_sources/mmtbx/mmtbx/scaling/massage_twin_detwin_data.py", line 330, in __init__
    self.final_array = detwinner.detwin_it(alpha=self.params.symmetry.twinning_parameters.fraction)
  File "/soft/ccp4/cctbx/cctbx_sources/mmtbx/mmtbx/scaling/massage_twin_detwin_data.py", line 197, in detwin_it
    print >> self.out, "Detwinning the data with fraction %3.2f"%(alpha)
TypeError: float argument required

Any idea?

Best regards,

Alexander

Build tag: 2007_01_24_2154 Red Hat WS 3

Mit freundlichen Grüßen / Best regards / Cordialement

Dr. Alexander Schiffer

Sanofi-Aventis Deutschland GmbH
S&MA Chemical Sciences Germany
Structural Biology
Industriepark Hoechst
Bldg. G877, Room 029
D-65926 Frankfurt am Main
t: +49 69 305 24896
f: +49 69 305 80169
w: www.sanofi-aventis.de

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