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<div class="moz-cite-prefix">A related question: is there a current
example of using phaser to calculate SAD LLG maps from a refined
model not refined with phenix.refine? In the past I have used the
description posted here:<br>
<a class="moz-txt-link-freetext" href="http://www.phenix-online.org/pipermail/phenixbb/2008-July/012399.html">http://www.phenix-online.org/pipermail/phenixbb/2008-July/012399.html</a><br>
<br>
However phaser syntax and keywords seem to have changed a bit as
this no longer works. Also, have the derived FLLG and PHLLG
columns been renamed ?<br>
thanks,<br>
Alastair Fyfe<br>
<br>
On 04/03/2014 09:13 AM, Nathaniel Echols wrote:<br>
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cite="mid:CALeAa1MSXet8_non0B5-zY+Phe_AE2j8h2Jxm=ApgSyaFXG7Lg@mail.gmail.com"
type="cite">
<pre wrap="">PS. Tom pointed out that the anomalous measurability in Xtriage depends on
the sigmas, which is obviously a problem for synthetic data - you can
generate fake sigmas with "add_sigmas=True", but the resulting statistics
will be meaningless.
-Nat
On Thu, Apr 3, 2014 at 8:27 AM, Nathaniel Echols <a class="moz-txt-link-rfc2396E" href="mailto:nechols@lbl.gov"><nechols@lbl.gov></a> wrote:
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<pre wrap="">I guess it depends on what you're looking for as the final output. It's
easy to generate an MTZ file with anomalous Fcalc (this is in the GUI too,
of course):
phenix.fmodel model.pdb high_resolution=2.0 type=real wavelength=0.9792
Extracting some kind of useful summary from the data might require a
little extra scripting - although this may be the kind of thing we should
just add to Xtriage (which only reports "anomalous measurability" right
now).
-Nat
On Thu, Apr 3, 2014 at 7:20 AM, Jonathan Grimes <a class="moz-txt-link-rfc2396E" href="mailto:jonathan@strubi.ox.ac.uk"><jonathan@strubi.ox.ac.uk></a>wrote:
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<pre wrap="">
Given a refined protein structure, is there an straightforward way to
calculate the anomalous
differences as a function of resolution, at wavelength X.
many thanks
jon
Dr. Jonathan M. Grimes,
NDM Senior Reseach Fellow
University Research Lecturer
DIAMOND Research Fellow
Division of Structural Biology
Wellcome Trust Centre for Human Genetics
University of Oxford
Roosevelt Drive,
Oxford OX3 7BN, UK
Email: <a class="moz-txt-link-abbreviated" href="mailto:Jonathan@strubi.ox.ac.uk">Jonathan@strubi.ox.ac.uk</a>, Web: <a class="moz-txt-link-abbreviated" href="http://www.strubi.ox.ac.uk">www.strubi.ox.ac.uk</a>
Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547
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