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Re: [ccp4bb] Sulfate ion on 2-fold axis - Garib? |
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CCP4bb navigationCCP4bb <-- 2008 <-- January 2008 <-- 11 January 2008Subject: Re: Sulfate ion on 2-fold axis - Garib? From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK Date: 2008-01-11 Eleanor Charlie Bond wrote: > Eleanor Dodson wrote: > >> It should be more or less equivalent, but better I think to put 1S at >> 0.5 occ and 2O at occ = 1 >> >> At least in REFMAC the restraints to the symmetry atoms should be set up >> > > But if you do that, some of the bond angles will be unrestrained, won't > they?: O1-S-O2 will be OK, but O1-S-O1' and O2-S-O2' will not. Or is > refmac cleverer than I think? > > Cheers, > Charlie > CCP4bb navigationCCP4bb <-- 2008 <-- January 2008 <-- 11 January 2008 |
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