Hi people, We are refining a structure with sulfates and we are getting the Chiral volume outliers issue. I understand the problem as being computational where the oxygens are in reality equivalent but computationally named differently. I have seen the recent Acta Cryst D paper (April 2012 - PDB_REDO) which talks about this issue and mentions the development of Chiron which could fix this issue.
Is there a way to fix this problem using existing tools (or editing). We have ~20 sulfates in our protein (10-mer system) Thanks heaps Joel _________________________________ Joel Tyndall, PhD Senior Lecturer in Medicinal Chemistry National School of Pharmacy University of Otago PO Box 56 Dunedin 9054 New Zealand Skype: jtyndall Ph: +64 3 479 7293
