Hey all,
I have a structure where two (identical) half molecules occupy one unit
cell but are shifted by half a unit cell translation. I would like to
refine them concurrently with global occupancy for each protein fixed to
1/2 initially (maybe relax that later). Is that possible in refmac
For sure you could do it by these softwares with occ. set to 1/2 (and
in case some restrictions need to be released),
if what you mentioned were the TRUTH.
But before doing this, you may want to check the possibilities of 1)
misindexing and 2) twinning.
MR solution with 1/2 z translation fit
