#!/bin/sh

set -e

# Example of running SFCHECK 

#sfcheck produces a lot of little files 
cd $CCP4_SCR

# sfcheck does not like a relative CCP4_SCR, so
# make sure it is an absolute path:
CCP4_SCR=`pwd`

mtzfiledir=`echo $CEXAM`

sfcheck HKLIN $mtzfiledir/toxd/toxd.mtz XYZIN $mtzfiledir/toxd/toxd.pdb  <<stop
LABIN F=FTOXD3 SIGF=SIGFTOXD3 FREE=FreeR_flag
stop
#
#the postcript file of intrest is in 
# $CCP4_SCR/sfcheck_XXXX.ps
#