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Hi Omar,<br>
<br>
electron scattering table is fully supported. In phenix.maps it is <br>
<br>
scattering_table = wk1995 it1992 *n_gaussian neutron electron<br>
<br>
But if you just want to compute a Fourier map from a PDB file then
this is more straightforward:<br>
<br>
phenix.fmodel model.pdb high_res=2.3 scattering_table=electron<br>
<br>
You need to have a reasonably recent version of Phenix for this.<br>
<br>
Pavel<br>
<br>
<br>
<div class="moz-cite-prefix">On 2/10/15 1:57 PM, Omar Davulcu wrote:<br>
</div>
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<p class="MsoNormal">Hi, everyone.<o:p></o:p></p>
<p class="MsoNormal"><o:p>�</o:p></p>
<p class="MsoNormal">Probably a silly question, but here goes�<o:p></o:p></p>
<p class="MsoNormal"><o:p>�</o:p></p>
<p class="MsoNormal">I�m trying to calculate a simulated map
around a set of coordinates using the electron scattering
table.� Phenix.maps doesn�t appear to allow selection of that
particular scattering table.<o:p></o:p></p>
<p class="MsoNormal"><o:p>�</o:p></p>
<p class="MsoNormal">I noticed that phenix.refine allows me to
select that table and I thought I would set the number of
macro cycles to 0 and turn off all the refinement options and
produce a map that way.� I thought I would generate the
structure factors needed as input with phenix.fmodel, but that
also doesn�t allow selection of the electron scattering table.<o:p></o:p></p>
<p class="MsoNormal"><o:p>�</o:p></p>
<p class="MsoNormal">So, my (na�ve) question is: what am I doing
wrong?� Is there a way I can calculate this map in phenix?�
Any help would be greatly appreciated.<o:p></o:p></p>
<p class="MsoNormal"><o:p>�</o:p></p>
<p class="MsoNormal">Thanks much!<o:p></o:p></p>
<p class="MsoNormal">Omar Davulcu<o:p></o:p></p>
<p class="MsoNormal"><o:p>�</o:p></p>
<p class="MsoNormal"><o:p>�</o:p></p>
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