<div dir="ltr">Which version are you running? Have you tried using the latest nightly build?<br><div class="gmail_extra"><br><br><div class="gmail_quote">On Fri, Apr 5, 2013 at 7:44 AM, Stephen Weeks <span dir="ltr"><<a href="mailto:sd.weeksy@gmail.com" target="_blank">sd.weeksy@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear phenixBBers<div><br><div> 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><br></div><div><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>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><br></div><div>Does anyone have a suggestion how to fix this ?</div><div><br></div><div>Cheers</div><span class="HOEnZb"><font color="#888888"><div><br></div><div>Stephen </div></font></span></div></div></div>
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