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Dear buster users,<br>
<br>
I use Buster for X-ray structure refinement. I have solved the
structure by MR. I am working about a protein complex with DNA. The map
obtained allows me to construct DNA with alternative conformation.<br>
<br>
I used this command line : 'refine -p <i>my</i>.pdb -m <i>my</i>.mtz
-M TLSbasic -d <i>destfolder</i>'<br>
I work on MacPro with OS : 10.5.11<br>
<br>
This command line start the run, but it stop with this error message : <br>
<br>
'ERROR : [run_buster-0043] although the inital sanity check<br>
passed we got an error from BUSTER and/or GELLY -<br>
something unexpected must have happened (see<br>
14/01-BUSTER/Cycle-1/gelly_sanity_test.log)<br>
<br>
grep: warning: recursive search of stdin<br>
grep: warning: recursive search of stdin<br>
<br>
ERROR : [refine-0049] problems in run_buster: see messages<br>
above'<br>
<br>
When i see the message above, i can find this : at the end :<br>
'Initial functional value = 57936.1 rms gradient= NaN <br>
*** ERROR rms gradient is NaN - not a number<br>
*** ERROR normal reason for this is zero/zero programming error'<br>
<br>
I have tried to remove the header of my pdb and resave my pdb. But i
observed no effect for this error. <br>
Precedently i used Buster with the same command line, the same
computer, and the same model but less refine and there was no problem.<br>
<br>
I appreciate any suggestion.<br>
<br>
Nicolas. <br>
<br>
<br>
<pre class="moz-signature" cols="72">--
Nicolas Foos, PhD Student
Molecular Transport & Signalling
AFMB UMR 6098 CNRS/UI/UII Case 932
163 Avenue de Luminy
13288 Marseille cedex 9 (France)
Tel : +33 4 91 82 55 60
Fax : +33 4 91 26 67 20
e-mail : <a class="moz-txt-link-abbreviated" href="mailto:Nicolas.Foos@afmb.univ-mrs.fr">Nicolas.Foos@afmb.univ-mrs.fr</a>
<a class="moz-txt-link-freetext" href="http://www.afmb.univ-mrs.fr/">http://www.afmb.univ-mrs.fr/</a>
</pre>
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