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<div class="moz-cite-prefix">Hi Stephen,<br>
<br>
please use recent Phenix version and the problem will go away:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.phenix-online.org/download/nightly_builds.cgi">http://www.phenix-online.org/download/nightly_builds.cgi</a><br>
<br>
Pavel<br>
<br>
On 4/5/13 7:44 AM, Stephen Weeks wrote:<br>
</div>
<blockquote
cite="mid:CAGoC5BAEOTs3XKC-+R-j9WoffGsk7TuhZ3r9PAuZshfPU6-LCg@mail.gmail.com"
type="cite">
<div dir="ltr">Dear phenixBBers
<div><br>
<div style=""> I have a curious case of refinement of a
2.6 Angs structure, where some of the atoms have a
calculated b-factor of 0.00. It seems to be somewhat random
where this occurs and includes atoms within the backbone
e.g. the nitrogen in the following residue:</div>
<div style=""><br>
</div>
<div style="">
<div>ATOM 2014 N THR A 264 -2.685 42.357 -35.833
1.00 0.00 N</div>
<div>ATOM 2015 CA THR A 264 -3.952 41.776 -35.425
1.00 1.50 C</div>
<div>ATOM 2016 CB THR A 264 -4.684 41.052 -36.593
1.00 1.70 C</div>
<div>ATOM 2017 OG1 THR A 264 -4.077 39.772 -36.846
1.00 2.24 O</div>
<div>ATOM 2018 CG2 THR A 264 -4.669 41.867 -37.855
1.00 1.72 C</div>
<div>ATOM 2019 C THR A 264 -3.687 40.729 -34.368
1.00 2.42 C</div>
<div>ATOM 2020 O THR A 264 -2.571 40.210 -34.263
1.00 2.63 O</div>
<div><br>
</div>
<div style="">The structure contains 4 NCS related monomers
but with a quick glance I don't see any obvious
correlation between each one as to which atoms are 0.00.
I did use phenix.pdbtools to randomise the B-factors (no
atoms had a value 0.00 afterwards) but upon repeating
the refinement the same problem occurs.</div>
<div style=""><br>
</div>
<div style="">Does anyone have a suggestion how to fix this
?</div>
<div style=""><br>
</div>
<div style="">Cheers</div>
<div style=""><br>
</div>
<div style="">Stephen </div>
</div>
</div>
</div>
<br>
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<br>
<pre wrap="">_______________________________________________
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</pre>
</blockquote>
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