<BODY contentEditable=true onload=parent.init()><P>I am sorry, </P>
<P>This is a typo in the manual. The proper keyword to specify the twin fraction should be</P>
<P>symmetry.twinning_parameters.fraction=0.41</P>
<P>There should be a warning printed to the screen, and previoulsy, xtriage would bail out ...</P>
<P>Greetings</P>
<P> </P>
<P>Peter</P>
<P> </P>
<P> </P>
<P>mmtbx.xtriage data.mtz n_residues=1341 log=detwin.log <BR>> hklout=data_detwin.mtz symmetry.action=detwin <BR>> symmetry.twinning_parameters.twin_law=-h-k,k,-l <BR>> twinning.twinning_parameters.fraction=0.41 <BR>> I get this message: <BR></P>
<P> </P>
<P> </P>
<P><BR><BR>----- Original Message ----- <BR>From: Alexander.Schiffer@sanofi-aventis.com <BR>Date: Tuesday, February 27, 2007 2:35 am <BR>Subject: [cctbxbb] float error <BR>To: cctbxbb@phenix-online.org <BR><BR>> Dear all, <BR>> <BR>> I am trying to detwin a dataset using mmtbx.xtriage but when I run <BR>> the program with the following command: <BR>> <BR>> mmtbx.xtriage data.mtz n_residues=1341 log=detwin.log <BR>> hklout=data_detwin.mtz symmetry.action=detwin <BR>> symmetry.twinning_parameters.twin_law=-h-k,k,-l <BR>> twinning.twinning_parameters.fraction=0.41 <BR>> I get this message: <BR>> <BR>> Attempting to detwin data <BR>> ------------------------- <BR>> Detwinning data with: <BR>> - twin law: -h-k,k,-l <BR>> <BR>> BE WARNED! DETWINNING OF DATA DOES NOT SOLVE YOUR TWINNING PROBLEM! <BR>> PREFERABLY, REFINEMENT SHOULD BE CARRIED OUT AGAINST ORIGINAL DATA <BR>
> ONLY USING A TWIN SPECIFIC TARGET FUNCTION! <BR>> <BR>> Traceback (most recent call last): <BR>> File <BR>> "/soft/ccp4/cctbx/cctbx_sources/mmtbx/mmtbx/command_line/xtriage.py", line 5, in <module> <BR>> xtriage.run(command_name="mmtbx.xtriage", args=sys.argv[1:]) <BR>> File <BR>> "/soft/ccp4/cctbx/cctbx_sources/mmtbx/mmtbx/scaling/xtriage.py", line 691, in run <BR>> out=log) <BR>> File <BR>> "/soft/ccp4/cctbx/cctbx_sources/mmtbx/mmtbx/scaling/massage_twin_detwin_data.py", line 330, in __init__ <BR>> self.final_array = <BR>> 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 <BR>> print >> self.out, "Detwinning the data with fraction <BR>
> %3.2f"%(alpha)TypeError: float argument required <BR>> <BR>> Any idea? <BR>> <BR>> Best regards, <BR>> <BR>> Alexander <BR>> <BR>> Build tag: 2007_01_24_2154 Red Hat WS 3 <BR>> <BR>> Mit freundlichen Gr��en / Best regards / Cordialement <BR>> <BR>> Dr. Alexander Schiffer <BR>> <BR>> Sanofi-Aventis Deutschland GmbH <BR>> S&MA Chemical Sciences Germany <BR>> Structural Biology <BR>> Industriepark Hoechst <BR>> Bldg. G877, Room 029 <BR>> D-65926 Frankfurt am Main <BR>> t: +49 69 305 24896 <BR>> f: +49 69 305 80169 <BR>> w: www.sanofi-aventis.de <BR>> <BR>> ************************************************************************************************************************************************************** <BR>> Sanofi-Aventis Deutschland GmbH � Sitz der Gesellschaft: <BR>> Frankfurt am Main � Handelsregister: Frankfurt am Main, Abt. B Nr. <BR>
> 40661Vorsitzender des Aufsichtsrats: Hanspeter Spek - <BR>> Gesch�ftsf�hrer: Dr. Heinz-Werner Meier (Vorsitzender), <BR>> Dr. Matthias Braun, Herv� Gisserot, Dieter Kohl, Prof. Dr. Dr. <BR>> Werner Kramer, Dr. Martin Siewert <BR>> ************************************************************************************************************************************************************** <BR>> <BR>> <BR>> </P></BODY>