<div dir="ltr">Thank you to Pavel, Robbie and Mark og tak til Bjørn og Robert. <div><br></div><div style>It was the last day of this student's project and she was doing some kind of coarse-grain protein dynamics model. This was the first time she asked me for help so I had to both (try) to understand what she was doing and figure out how to help her in the quickest manner while introducing the fewest new pieces of software. And I was a bit tired *ahem* from the going away party the night before. </div>
<div style><br></div><div style>Robbie's solution was by far the easiest. Basically, he has a list of all the Wilson B-factors for experimental data in the pdb from his work on PDB_REDO. It's a long list. </div><div style>
This gave her more consistent data when analysing the experimental structures. I don't know if it measurably influenced the model results. </div><div style><br></div><div style>The lesson is of course that if you are going to analyse data deposited by other people... Blah, blah. Starting over.</div>
<div style>If you analyse x-ray crystal structures and you aren't a crystallographer then you should go ally yourself with one from the beginning.</div><div style> </div><div style> Thanks for all the help and suggestions guys.</div>
<div style><br></div><div style>-Morten</div><div style><br></div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On 21 March 2014 18:55, Pavel Afonine <span dir="ltr"><<a href="mailto:pafonine@lbl.gov" target="_blank">pafonine@lbl.gov</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Sounds like Phenix is missing a command line tool as simple as this:<br>
<br>
phenix.wilson_b data.mtz label="F-obs"<span class="HOEnZb"><font color="#888888"><br>
<br>
Pavel</font></span><div class="HOEnZb"><div class="h5"><br>
<br>
<br>
On 3/21/14, 11:42 AM, R.D. Oeffner wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">