Dear colleagues,<br>
<br>
I have a tartaric acid on a two fold axis with its two halves related<br>
by the two fold.  How do I refine this in Phenix?  <br>
<br>
Also I have a SO4 on a 3 fold with S and one O on tthe 3 fold.  The<br>
other 3 oxygens are related by the 3-fold.  How do I refine this in<br>
phenix?  I can put S and one O occupancy 1, what occupancy do I put<br>
for the 3 oxygens that overlap their symmetry mates?<br>
<br>
And how do I maintain stereochemistry around the symmetry axis?  These<br>
are not just one atom. For the tartaric acid the 2 fold goes through<br>
the middle of the bond.  I could split it in two halves but I do not<br>
see how to keep stereochemistry.<br>
<br>
I would appreciate all suggestions.<br><br>I apologize because the question should go to another newsgroup but I am still working with my subscription in phenixbb.<br>
<br>
Jackie Vitali