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Hi,<br>
<br>
I use the USF program mapman for both RSCC and RSR values for each
residue; it works for ligands as well.<br>
But I would like to add a question here. Mapman requires an
"..."observed"
map would be (2mFo-DFc, PHIc)..." and a " ... "calculated" map would be
(Fc, PHIc) ...", as stated in the manual. I interpret these to be the
ones calculated with the phenix output (default names) labels
2FOFCWT/PH2FOFCWT and FMODEL/PHIFMODEL , respectively (input into
mapman after due normalization). I just wondered these are the very
right lables to consider for this such calculation. And then,
concerning phenix.get_cc_mtz_pdb, I wondered this is the consideration
as well. And..., a third question, would we do better excluding the
R-free flagged reflections when calculating these maps?<br>
<br>
Jorge<br>
<br>
<blockquote cite="mid:48BDBE3C.4080308@umontreal.ca" type="cite">
<pre wrap="">Hi,
Yes, you can use phenix.get_cc_mtz_pdb (see phenix.doc)
But I wonder if there is a way to get CC value for a ligand or a metal
ion too ??
Nigel ???
</pre>
<blockquote type="cite">
<pre wrap="">Date: Tue, 2 Sep 2008 13:18:59 -0400
From: "nih\mayerm" <a class="moz-txt-link-rfc2396E" href="mailto:mayerm@mail.nih.gov"><mayerm@mail.nih.gov></a>
Subject: [phenixbb] Real Space R value
To: <a class="moz-txt-link-abbreviated" href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a>
Message-ID: <a class="moz-txt-link-rfc2396E" href="mailto:FEAAD2DC-1906-4194-881B-CA83B48E8043@mail.nih.gov"><FEAAD2DC-1906-4194-881B-CA83B48E8043@mail.nih.gov></a>
Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed
Is it possible to calculate a list of Real Space R values for
structures refined with phenix.refine ?
If so advice on how to do this would be greatly appreciated.
Thanks - Mark Mayer
</pre>
</blockquote>
<pre wrap=""><!---->
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</pre>
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