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