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FYI: <br>
phenix.fmodel rarely takes more than 3-5 seconds to run. Under the
hood it is simply iotbx.pdb.input to fast-process PDB file, and then
Fcalc from xray_structure. If bulk-solvent contribution is requested
then the time for mask calculation (which is fast too) adds to the
total runtime. <br>
<br>
Pavel <br>
<br>
On 9/13/11 9:14 PM, Ralf Grosse-Kunstleve wrote:
<blockquote
cite="mid:CAPbyqJFLh6uoBLm7LHQkfGjQwvHGy5R1O6MhUZDUcY5GDYr6kw@mail.gmail.com"
type="cite">
<div class="gmail_quote">
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt
0.8ex; border-left: 1px solid rgb(204, 204, 204);
padding-left: 1ex;">sfall XYZIN model.pdb HKLOUT model.mtz
<< END-sfall<br>
MODE SFCALC XYZIN<br>
CELL 15 <a moz-do-not-send="true"
href="tel:20%2025%2090%2090%2090" value="+12025909090"
target="_blank">20 25 90 90 90</a><br>
SYMM P212121<br>
RESO 30 2.1<br>
LABO FC=FC PHIC=PHIC<br>
END-sfall<br>
</blockquote>
<div><br>
</div>
<div>Here is another one:</div>
<div><br>
</div>
<div><font class="Apple-style-span" face="'courier new',
monospace">iotbx.pdb.as_xray_structure model.pdb --fake=2.5</font></div>
<div><br>
</div>
<div>Faster than <font class="Apple-style-span" face="'courier
new', monospace">phenix.fmodel</font>, but no bulk-solvent
correction.</div>
<div><br>
</div>
<div>Ralf</div>
<div><br>
</div>
</div>
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</pre>
</blockquote>
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