HI Joe
This and similar cases should be changed in the library from
_chem_comp_chir.volume_sign = 'negative' (or 'positive') to 'both'.
Then if you're concerned about the standardisation of the atom
labelling you can always swap the labels of 2 atoms in the PDB file,
but at least with 'both' non-s
Sorry I should have added, that the issue occurs following refinement in
refmac. (error in log file and SO4's are distorted)
_
Joel Tyndall, PhD
Senior Lecturer in Medicinal Chemistry
National School of Pharmacy
University of Otago
PO Box 56 Dunedin 9054
New Zeala
