I've played around for a while, also read the manual and googled the internet, but just couldn't find a way to set up the restraints to the symmetry related atoms in Refmac5. Could anyone please kindly advice me how to do that?
Thank you!!! Jie Eleanor Dodson wrote: > It needs Garib to answer this! > 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 > >
