I am sorry,

This is a typo in the manual. The proper keyword to specify the twin fraction should be

symmetry.twinning_parameters.fraction=0.41

There should be a warning printed to the screen, and previoulsy, xtriage would bail out ...

Greetings

Peter

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:

----- Original Message -----
From: [email protected]
Date: Tuesday, February 27, 2007 2:35 am
Subject: [cctbxbb] float error
To: [email protected]

> 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 Gr��en / Best regards / Cordialement
>
> Dr. Alexander Schiffer
>
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