#!/bin/csh
#
#  set CCP4 and SOLVETMPDIR variables:
#
setenv CCP4_OPEN UNKNOWN
setenv SOLVETMPDIR /var/tmp
#
#  generate SAS dataset (ano scatterer in native)
#
solve  <<EOD

! generate Se SAD dataset

resolution 20 3.0
cell 76 28 42 90 103 90
symfile /usr/local/lib/solve/c2.sym

logfile generate.logfile
solvefile generate.prt
coordinatefile coords.pdb
percent_error  0.5
iranseed 31933

mad_atom Pt
lambda 1
label 0.9797 A Se SAD dataset
wavelength 0.9797
fprimv_mad  -8              ! f' value at this wavelength
fprprv_mad  10
ATOMNAME Pt
xyz  0.44 0.16 0.38 
occ 1.0 
bvalue 20 
ATOMNAME Pt
xyz  0.14 0.36 0.28 
occ 1.0 
bvalue 20 
generate_mad
! now lam_1.intensities = SAS intensity data at 0.9797 A
end
EOD