Hi Vaheh,
might be that you inverted the naming chirality by accident.
Simply regularize in coot and then carefully replacing into density
should do.
If that doesnt do invert yourself by drawing one oxygen through the
sulfur center.
Best, Matthias
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On Monday, 31 March, 2014 19:01:33 Oganesyan, Vaheh wrote:
Colleagues,
Sorry to bother for something really minor. The Refmac usually always
recognizes tetrahedral SO4 groups and there were no problems related to its
geometry. Two attached files demonstrate SO4 geometry before and after
To: Oganesyan, Vaheh
Cc: CCP4BB@jiscmail.ac.uk
Subject: Re: [ccp4bb] SO4 geometry
On Monday, 31 March, 2014 19:01:33 Oganesyan, Vaheh wrote:
Colleagues,
Sorry to bother for something really minor. The Refmac usually always
recognizes tetrahedral SO4 groups and there were no problems related to its
