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Sounds like you customized more options than you have revealed in
the email. <br>
<br>
I think all you need to do is:<br>
- reset B;<br>
- remove water and ask phenix.refine ad it again;<br>
- run refinement with Cartesian SA;<br>
- use 5-10 macro-cycles;<br>
<br>
This should be totally sufficient. Instead of SA you can shake
coordinates of input atoms with RMSD ~0.5A.<br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 2/18/15 12:29 PM, Tarek DawoD wrote:<br>
</div>
<blockquote
cite="mid:1238088639.890121.1424291341151.JavaMail.yahoo@mail.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff;
font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
Lucida Grande, sans-serif;font-size:16px">
<div id="yui_3_16_0_1_1424290541250_2971">to remove memory of
the old original R-free flags (which is not available) and
using a new test set, i reset the B factor and use SA (torsion
angle)<br>
</div>
<div id="yui_3_16_0_1_1424290541250_2971" class="" style=""><br
class="" style="">
</div>
<div id="yui_3_16_0_1_1424290541250_2971" class="" style=""
dir="ltr">i got this error: not implemented: support of
different sites. individual and sites.torsion_angles
selection.</div>
<div id="yui_3_16_0_1_1424290541250_2971" class="" style=""
dir="ltr"><br>
</div>
<div id="yui_3_16_0_1_1424290541250_2971" class="" style=""
dir="ltr">what does that mean?</div>
<div id="yui_3_16_0_1_1424290541250_2971" class="" style=""
dir="ltr"><br>
</div>
<div id="yui_3_16_0_1_1424290541250_2971" class="" style=""
dir="ltr">thank you in advance</div>
<div id="yui_3_16_0_1_1424290541250_2971" class="" style=""
dir="ltr"><br>
</div>
<div id="yui_3_16_0_1_1424290541250_2971" class="" style=""
dir="ltr">TK_DawoD</div>
</div>
<br>
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<br>
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