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Hi Carsten,<br>
<br>
there was a bug in phenix.reduce that is fixed already (I'm not sure if
this fix is in the latest PHENIX rc6). Meanwhile you can still use the
online version of Reduce to add H atoms:<br>
<a class="moz-txt-link-freetext" href="http://molprobity.biochem.duke.edu/">http://molprobity.biochem.duke.edu/</a><br>
<br>
Adding all hydrogens is a good idea.<br>
<br>
Pavel.<br>
<br>
<br>
On 12/6/2007 10:34 AM, Schubert, Carsten [PRDUS] wrote:
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<title>Question about adding hydrogrens with reduce -- parameters for
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<p><font face="Arial">Hi </font>
</p>
<p><font face="Arial">I am trying to generate a model with all
hydrogens placed using reduce. To my surprise it only applies hydrogens
to a selected few residues. How do I coax reduce to add ALL hydrogens
to my model, according to the Richardson Lab paper this should be
possible? The help from reduce was not helpful in that regard. Or is
adding all hydrogens a bad idea?</font></p>
<p><font face="Arial">Along those lines. If I would use another tool
to generate the hydrogens, like CNS(X) or Maeastro, how compatible are
the parameter files? </font></p>
<p><font face="Arial">Thanks for any input </font>
</p>
<br>
<p> <font face="Arial">Carsten</font>
</p>
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