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Hi Terry,<br>
<br>
to make sure it is recognized, look for something like this in the
output phenix.refine .log file:<br>
<br>
<font face="Courier New, Courier, monospace"> Number of scattering
types: 5<br>
Type Number sf(0)<br>
Au 1 78.96<br>
S 10 16.00<br>
O 395 8.00<br>
N 193 7.00<br>
C 613 6.00<br>
sf(0) = scattering factor at diffraction angle 0.<br>
<br>
</font>Please let me know if you have questions.<br>
Pavel.<br>
<br>
<br>
On 8/24/09 7:29 PM, Terry Lang wrote:
<blockquote cite="mid:4A934C76.60308@lego.berkeley.edu" type="cite">
<pre wrap="">Hey Everyone,
I am working on an xray structure that contains a ruthenium. I
have been able to use elbow to create a cif file that phenix can read
and refine without throwing error messages. However, there is a large
amount of positive electron density after the refinement. I am looking
into modeling coordinate waters, but I first wanted to check that the
ruthenium is being read correctly by phenix. How do I figure out if it
is properly recognized (eg correct scattering factors, bond and angle
restraints, etc)?
Thanks,
Terry
</pre>
</blockquote>
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