!------------------ solve.setup: standard setup for a dataset --------------
OVERWRITE ! overwrite duplicate file names without
! asking
SYMFILE /usr2/local/solve/p3112.sym ! symmetry file for this space group
! (most common space groups should be in
! this directory)
CELL 76.9 76.9 141.7 90 90 120 ! a, b, c, alpha, beta, gamma
RESOLUTION 3.0 25 ! Resolution limits in A. Hint: start
! out with lower-resolution data only
! (i.e, 3.5 A data for a 2.5 A dataset)
! it's a lot faster and almost as good
! for getting the heavy-atom sites.
!EZDGRID 0 47 0 47 0 12
!FFTGRID 0 47 48 0 47 48 0 12 72
!PATTGRID 0 47 48 0 16 48 0 36 72
[FFTGRID 0 96 96 0 24 48 0 32 64 means:0/96-96/96 in x, then same for y, z.]
! If you don't give SOLVE a grid for Fouriers (FFTGRID) and for
! Pattersons (PATTGRID), it will figure them out for you and write them in your
! logfile. It's a good idea to put them here once they have been chosen so
! the same ones are always used.
!----------------------------------------------------------------------------