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<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>.cif file appears OK. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>Try dos2unix xxx.cif on the command line
and then cif2struct xxx.cif. Sometimes ‘hidden’ carriage returns
are included in the .cif which ‘confuses’ unix.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>Hope this helps, Andrew.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'><o:p> </o:p></span></font></p>
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<p class=MsoNormal style='text-autospace:none'><font size=3 color=navy
face="Times New Roman"><span style='font-size:12.0pt;color:navy'>********************************<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=navy
face="Times New Roman"><span style='font-size:12.0pt;color:navy'>Dr <st1:PersonName
w:st="on">Andrew Scott</st1:PersonName><o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=navy
face="Times New Roman"><span style='font-size:12.0pt;color:navy'>Academic
Research Fellow<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=navy
face="Times New Roman"><span style='font-size:12.0pt;color:navy'>Institute for
Materials Research<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><st1:place w:st="on"><st1:PlaceType
w:st="on"><font size=3 color=navy face="Times New Roman"><span
style='font-size:12.0pt;color:navy'>University</span></font></st1:PlaceType><font
color=navy><span style='color:navy'> of <st1:PlaceName w:st="on">Leeds</st1:PlaceName></span></font></st1:place><font
color=navy><span style='color:navy'><o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><st1:place w:st="on"><font
size=3 color=navy face="Times New Roman"><span style='font-size:12.0pt;
color:navy'>Leeds</span></font></st1:place><font color=navy><span
style='color:navy'> LS2 9JT<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><st1:country-region w:st="on"><st1:place
w:st="on"><font size=3 color=navy face="Times New Roman"><span
style='font-size:12.0pt;color:navy'>United Kingdom</span></font></st1:place></st1:country-region><font
color=navy><span style='color:navy'><o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=navy
face="Times New Roman"><span style='font-size:12.0pt;color:navy'><o:p> </o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=navy
face="Times New Roman"><span style='font-size:12.0pt;color:navy'>e-mail:
a.j.scott@leeds.ac.uk<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=navy
face="Times New Roman"><span style='font-size:12.0pt;color:navy'>tel: (44)
(0)113 343 2573<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=navy
face="Times New Roman"><span style='font-size:12.0pt;color:navy'>fax: (44)
(0)113 343 2384<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=navy
face="Times New Roman"><span style='font-size:12.0pt;color:navy'>********************************<o:p></o:p></span></font></p>
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<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'><o:p> </o:p></span></font></p>
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<p class=MsoNormal><b><font size=2 face=Tahoma><span lang=EN-US
style='font-size:10.0pt;font-family:Tahoma;font-weight:bold'>From:</span></font></b><font
size=2 face=Tahoma><span lang=EN-US style='font-size:10.0pt;font-family:Tahoma'>
wien-bounces@zeus.theochem.tuwien.ac.at
[mailto:wien-bounces@zeus.theochem.tuwien.ac.at] <b><span style='font-weight:
bold'>On Behalf Of </span></b>Arin<br>
<b><span style='font-weight:bold'>Sent:</span></b> 22 September 2006 08:46<br>
<b><span style='font-weight:bold'>To:</span></b> <st1:PersonName w:st="on">A
Mailing list for WIEN2k users</st1:PersonName><br>
<b><span style='font-weight:bold'>Subject:</span></b> [Wien] can not generate
structure with cif file</span></font><span lang=EN-US><o:p></o:p></span></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'><o:p> </o:p></span></font></p>
<div>
<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'>Dear wien users:<o:p></o:p></span></font></p>
</div>
<div>
<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'>I want to use the cif file to generate the structure. However, after
uploading the files, I clicked the "Use Selected Cif File" and
none responded.<o:p></o:p></span></font></p>
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<div>
<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'>The cif files were download form the crystal structure database. Maybe
I can input by hand but I want to know what's the reason. (Maybe wien needs a
specific format of cif file ?). The attach is some cif files to check.
Thanks. <o:p></o:p></span></font></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'> <o:p></o:p></span></font></p>
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