#! /bin/sh

# Example for (c)parrot

# solvent/histogram calculation with cparrot.

set -e

# bug # 3192 - run-all examples produce harvest files - well to counteract
# this here set HARVESTHOME to somewhere in $CCP4_SCR

HARVESTHOME=$CCP4_SCR
export HARVESTHOME

if test ! -f $CCP4_SCR/toxd_phase_mir.mtz; then
  echo "! run the mlphare.exam procedure first" 1>&2
  exit 1
fi

cparrot -stdin << eof
mtzin-wrk $CCP4_SCR/toxd_phase_mir.mtz
mtzout $CCP4_SCR/toxd_dm.mtz
colin-wrk-fo /*/*/[FTOXD3,SIGFTOXD3]
colin-wrk-hl /*/*/[HLA,HLB,HLC,HLD]
solvent-flatten
solvent-content 0.48
histogram-match
mtzout dm-toxd.mtz
eof