Hailiang Zhang wrote:
> When I run UPPSALA rsfit, there are lots of "ERROR --- Serious FRCSYM
> error". These atoms/residues are generally around the protein surface, so
> I guess the reason is the mask were out of the unit cell. Is there any way
> to avoid this?
I've seen that error in averaging/expanding. As you suggest it
seems to be the voxel is on the edge, and one more layer
beyond the exact asymmetric unit needs to be added.
In my case it could be fixed with ccp4 mapmask,
(for GRID 280 340 456)
mapmask MAPIN temp.map MAPOUT chg1.map << END-extend
xyzlim 0 280 0 340 0 114
here this is exactly one asymmetric unit (P212121)-
If you still get fracsym's add one layer to each dimension until