#!/bin/csh
#goto resolve
f2mtz hklin ../p31.phs hklout p31.mtz <<+
cell 54.756 54.756 75.644    90.00   90.00  120.000
symm p31
labout H K L FP FOM PHIB SIGFP
ctyp H H H F W P Q
end
+

resolve:
resolve  <<+ > resolve.log
hklin p31.mtz
LABIN FP=FP SIGFP=SIGFP PHIB=PHIB FOM=FOM
build_only
hklout resolve.mtz
solvent_content 0.40
seq_file pdz.pir
+