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<div class="moz-cite-prefix">Hi Tong,<br>
<br>
I replied to your email yesterday. Did you get it? Just in case
below is a verbatim copy of my yesterday's reply to you:<br>
<br>
****<br>
<div class="moz-text-html" lang="x-western">
<div class="moz-cite-prefix">Hi 霍彤,<br>
<br>
hm, this shouldn't normally happen! Could you please send me
relevant inputs so I can reproduce the problem and see what
exactly is happening? Also explain how you run autobuild and
then phenix.refine.<br>
<br>
Pavel<br>
<br>
On 7/20/12 5:43 AM, 霍彤 wrote:<br>
</div>
<blockquote
cite="mid:778c34ed.2200b.138a46a39cc.Coremail.herohonan@126.com"
type="cite">
<div
style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">
<div>
<div>Hi all:</div>
<div>I do not know if someone mentioned this problem here
before. Recently I ran the AutoBuild to build the
structure model, and it outputs a best model(R/Rfree
0.20/0.24). After that, I tried the program Phenix
Refine using the .pdb and .mtz generated by AutoBuild.
The R value increased to 0.23/0.30 by the end of this
refine. </div>
<div>I wonder why this happened? Or if I have done
something wrong?<br>
</div>
</div>
</div>
</blockquote>
</div>
****<br>
<br>
Pavel<br>
<br>
On 7/20/12 6:56 PM, herohonan wrote:<br>
</div>
<blockquote
cite="mid:73ff0509.1cb8.138a73fcccf.Coremail.herohonan@163.com"
type="cite">
<div
style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">
<div>Hi all:<br>
I do not know if someone mentioned this problem here before.
Recently I ran the AutoBuild to build the structure model, and
it outputs a best model(R/Rfree 0.20/0.24). After that, I
tried the program Phenix Refine using the .pdb and .mtz
generated by AutoBuild. The R value increased to 0.23/0.30 by
the end of this refine.<br>
I wonder why this happened? Or if I have done something wrong?</div>
<div><br>
(After AutoBuild, I modified the structure and added the
substrate moleculars into the structure by hand.</div>
<div>I thought the increase of the R value was resulted from the
inapposite position of the substrates.</div>
<div>But the R value still increased when I ran the Phenix
Refine just by inputting the output of the AutoBuild without
any manual modification.)<br>
<br>
</div>
<div>--<br>
<div>Tong Huo</div>
<div>Ph.D candidate</div>
<div>College of Life Sciences</div>
<div>Nankai University</div>
<div>Tianjin, China</div>
</div>
</div>
<br>
<br>
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