<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2//EN">
<HTML>
<HEAD>
<META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=iso-8859-1">
<META NAME="Generator" CONTENT="MS Exchange Server version 6.5.7651.59">
<TITLE>float error</TITLE>
</HEAD>
<BODY>
<!-- Converted from text/rtf format -->
<P><FONT SIZE=2 FACE="Verdana">Dear all,</FONT>
</P>
<P><FONT SIZE=2 FACE="Verdana">I am trying to detwin a dataset using mmtbx.xtriage but when I run the program with the following command:</FONT>
</P>
<P><I><FONT SIZE=2 FACE="Verdana">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</FONT></I></P>
<P><FONT SIZE=2 FACE="Verdana">I get this message:</FONT>
</P>
<P><I><FONT SIZE=2 FACE="Verdana">Attempting to detwin data</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana">-------------------------</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana">Detwinning data with:</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana"> - twin law: -h-k,k,-l</FONT></I>
</P>
<P><I><FONT SIZE=2 FACE="Verdana">BE WARNED! DETWINNING OF DATA DOES NOT SOLVE YOUR TWINNING PROBLEM!</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana">PREFERABLY, REFINEMENT SHOULD BE CARRIED OUT AGAINST ORIGINAL DATA</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana">ONLY USING A TWIN SPECIFIC TARGET FUNCTION!</FONT></I>
</P>
<P><I><FONT SIZE=2 FACE="Verdana">Traceback (most recent call last):</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana"> File "/soft/ccp4/cctbx/cctbx_sources/mmtbx/mmtbx/command_line/xtriage.py", line 5, in <module></FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana"> xtriage.run(command_name="mmtbx.xtriage", args=sys.argv[1:])</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana"> File "/soft/ccp4/cctbx/cctbx_sources/mmtbx/mmtbx/scaling/xtriage.py", line 691, in run</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana"> out=log)</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana"> File "/soft/ccp4/cctbx/cctbx_sources/mmtbx/mmtbx/scaling/massage_twin_detwin_data.py", line 330, in __init__</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana"> self.final_array = detwinner.detwin_it(alpha=self.params.symmetry.twinning_parameters.fraction)</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana"> File "/soft/ccp4/cctbx/cctbx_sources/mmtbx/mmtbx/scaling/massage_twin_detwin_data.py", line 197, in detwin_it</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana"> print >> self.out, "Detwinning the data with fraction %3.2f"%(alpha)</FONT></I>
<BR><I><FONT SIZE=2 FACE="Verdana">TypeError: float argument required</FONT></I>
</P>
<P><FONT SIZE=2 FACE="Verdana">Any idea?</FONT>
</P>
<P><FONT SIZE=2 FACE="Verdana">Best regards,</FONT>
</P>
<P><FONT SIZE=2 FACE="Verdana">Alexander</FONT>
</P>
<P><FONT SIZE=2 FACE="Verdana">Build tag: 2007_01_24_2154 Red Hat WS 3</FONT>
</P>
<P><B><I><SPAN LANG="en-gb"><FONT SIZE=1 FACE="Arial">Mit freundlichen Gr��en / Best regards / Cordialement</FONT></SPAN></I></B>
</P>
<P><SPAN LANG="en-gb"><FONT COLOR="#0000FF" SIZE=1 FACE="Arial">Dr. Alexander Schiffer</FONT></SPAN>
</P>
<P><SPAN LANG="en-gb"><FONT SIZE=1 FACE="Arial">Sanofi-Aventis Deutschland GmbH</FONT></SPAN>
<BR><SPAN LANG="en-gb"><FONT SIZE=1 FACE="Arial">S&MA Chemical Sciences Germany</FONT></SPAN>
<BR><SPAN LANG="en-gb"><FONT SIZE=1 FACE="Arial">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:<U> </U></FONT></SPAN><A HREF="file://www.sanofi-aventis.de"><SPAN LANG="en-gb"><U><FONT SIZE=1 FACE="Arial">www.sanofi-aventis.de</FONT></U><U></U></SPAN></A><SPAN LANG="en-gb"><U></U></SPAN>
</P>
<P><SPAN LANG="de"><FONT SIZE=1 FACE="Arial">**************************************************************************************************************************************************************</FONT></SPAN></P>
<P><SPAN LANG="de"><FONT SIZE=1 FACE="Arial">Sanofi-Aventis Deutschland GmbH � Sitz der Gesellschaft: Frankfurt am Main � Handelsregister: Frankfurt am Main, Abt. B Nr. 40661</FONT></SPAN></P>
<P><SPAN LANG="de"><FONT SIZE=1 FACE="Arial">Vorsitzender des Aufsichtsrats: Hanspeter Spek - Gesch�ftsf�hrer: Dr. Heinz-Werner Meier (Vorsitzender),</FONT></SPAN>
<BR><SPAN LANG="de"><FONT SIZE=1 FACE="Arial">Dr. Matthias Braun, Herv� Gisserot, Dieter Kohl, Prof. Dr. Dr. Werner Kramer, Dr. Martin Siewert</FONT></SPAN>
<BR><SPAN LANG="de"><FONT SIZE=1 FACE="Arial">**************************************************************************************************************************************************************</FONT></SPAN></P>
<BR>
</BODY>
</HTML>