# solve.com  -- take 1 mad dataset and solve it

# CCP4_OPEN environmental variable set to UNKNOWN so file overwriting will work
setenv CCP4_OPEN UNKNOWN

solve <<***
@solve.setup                   ! get our standard information read in
logfile solve.logfile            ! write out most information to this file.

readformatted                  ! alternatives are readdenzo, readtrek
premerged                      ! alternative is unmerged
read_intensities               ! alternative is read_amplitudes
refscattfactors                ! alternative is fixscattfactors

mad_atom se
lambda 1
label set 1 with 2 se atoms, lambda 1
wavelength .9782                        ! wavelength value
fprimv_mad  -10                         ! f' value at this wavelength
fprprv_mad  3                           ! f doubleprime value
rawmadfile lam1.intensities          ! datafile
ATOMNAME Se                             ! we're about to enter data on an atom 

lambda 2
wavelength 0.977865
fprimv_mad  -7.5
fprprv_mad  5
rawmadfile lam2.intensities

lambda 3
wavelength 0.8856
fprimv_mad  -2
fprprv_mad  3.5
rawmadfile lam3.intensities
nres 80
nanomalous 2
!
scale_mad
analyze_mad
solve
!--------all done----------

***