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Hi Maciej,<br>
<br>
please have a look at item #10 and Notes section here:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.phenix-online.org/documentation/reference/real_space_refine.html">http://www.phenix-online.org/documentation/reference/real_space_refine.html</a><br>
<br>
One sentence summary is: Make sure you use secondary structure (SS)
restraints in refinement, also making sure you provide SS
annotations as HELIX/SHEET records in input PDB that are as accurate
as possible; this is critical for successful refinement.<br>
<br>
If you have more questions please get back to us!<br>
<br>
Good luck!<br>
Pavel<br>
<br>
<br>
<div class="moz-cite-prefix">On 6/28/18 09:23, Maciej Jagielnicki
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAHLTAELO3ZnXqYkeJOhkUvvmZ2Sxpij==A-gadwvRZ9yytAKMQ@mail.gmail.com">
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<div>Hi All,</div>
<div><br>
</div>
<div>I used a combination of phenix real space refine and Coot
to build a model into a cryoEM density map. I used an existing
.pdb file as a starting point for my building. During the
build, some helical elements became strands and vice versa (it
was very clear to my eyes). Unfortunately, neither Phenix nor
Coot would automatically update the header information for
secondary structure elements, and I had to manually edit the
header so that helices would show up in correct places when
the .pdb file was viewed in Chimera or similar software. Not
an ideal way of doing this which is likely related to what
happened next.<br>
</div>
<div><br>
</div>
<div>When the header information is removed, however, as it
happens when the pdb.extract tool prepares a .pdb file for
submission by turning it into a .cif file, the secondary
structure elements are still displayed when a .cif file is
visualized (bizzare in itself) but also the secondary
structure is taken straight from the starting .pdb file (the
one I used as a base for my model to which there is no
connection whatsoever). The question is this - where does the
incorrect secondary information come from in the absence of
the header? How to fix this? I cannot deposit a file that
shows helices/sheets wherever it wants... </div>
<br clear="all">
<div>Regards,</div>
<div>Maciej J.<br>
</div>
<div><br>
</div>
-- <br>
<div class="gmail_signature" data-smartmail="gmail_signature">
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<div>Maciej Jagielnicki, MS.
<div>Graduate Student</div>
<div><span
style="font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">University
of Virginia <br>
</span></div>
<div><span
style="font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">Molecular
Physiology and Biological Physics<br>
</span></div>
<div><span
style="font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">480
Ray C Hunt Drive Rm 320<br>
</span></div>
<div><span
style="font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">Charlottesville,
VA<br>
</span></div>
<div><font face="arial, sans-serif">Lab
Phone: 434-243-2520</font><br>
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