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<div class="moz-cite-prefix">Hi Gino,<br>
<br>
you could use phenix.find_tls_groups but the tool requires
meaningfully refined B-factors and more or less good geometry so
the secondary structure can be identified automatically. If this
is your case then phenix.find_tls_groups might work for you.<br>
<br>
Pavel<br>
<br>
On 7/12/12 9:33 AM, Gino Cingolani wrote:<br>
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The latter....something more analytical to split individual
chains into smaller groups
<br>
(e.g. like to define tls groups).<br>
<br>
Thanks,<br>
<br>
Gino<br>
<br>
<div><br>
<div style="font-family:Tahoma; font-size:13px"><font
style="font-family:Helvetica" size="3">******************************************************************************<br>
Gino Cingolani, Ph.D.<br>
Associate Professor<br>
Thomas Jefferson University<br>
Dept. of Biochemistry & Molecular Biology<br>
233 South 10th Street - Room 826<br>
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Office (215) 503 4573<br>
Lab (215) 503 4595<br>
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Website: <a class="moz-txt-link-freetext" href="http://www.cingolanilab.org">http://www.cingolanilab.org</a><br>
******************************************************************************<br>
"Nati non foste per viver come bruti, ma per seguir
virtute e canoscenza"<br>
("You were not born to live like brutes, but to follow
virtue and knowledge") Dante,
<br>
The Divine Comedy (Inferno, XXVI, vv. 119-120)<br>
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<div style="direction: ltr;" id="divRpF238421"><font
color="#000000" face="Tahoma" size="2"><b>From:</b>
<a class="moz-txt-link-abbreviated" href="mailto:phenixbb-bounces@phenix-online.org">phenixbb-bounces@phenix-online.org</a>
[<a class="moz-txt-link-abbreviated" href="mailto:phenixbb-bounces@phenix-online.org">phenixbb-bounces@phenix-online.org</a>] on behalf of
Nathaniel Echols [<a class="moz-txt-link-abbreviated" href="mailto:nechols@lbl.gov">nechols@lbl.gov</a>]<br>
<b>Sent:</b> Thursday, July 12, 2012 12:19 PM<br>
<b>To:</b> PHENIX user mailing list<br>
<b>Subject:</b> Re: [phenixbb] segmented rigid body
refinement<br>
</font><br>
</div>
<div>On Thu, Jul 12, 2012 at 9:16 AM, Gino Cingolani <span
dir="ltr"><<a moz-do-not-send="true"
href="mailto:Gino.Cingolani@jefferson.edu"
target="_blank">Gino.Cingolani@jefferson.edu</a>></span>
wrote:<br>
<div class="gmail_quote">
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;
border-left:1px #ccc solid; padding-left:1ex">
I'm refining a large oligomeric structure at low res
(~6A).<br>
I'd like to define groups to use for 'segmented rigid
body refinement'.<br>
Is there any rational way to define 'segments'?<br>
My macromolecule is already an oligomer on its own, so,
intuitively,<br>
each protomer is a segment.<br>
</blockquote>
<div><br>
</div>
<div>Not sure I understand the question - do you mean you
want to split the individual chains into smaller groups,
and you're looking for an analytical method for
determining these groups?</div>
<div><br>
</div>
<div>-Nat</div>
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