#!/bin/sh

# this is an example script for bug # 3241 which came out of the end of the 
# Mr Bump example

set -e

export HARVESTHOME=$CCP4_SCR

# Simple example of using REFMAC5 with default options.

refmac5 \
HKLIN  $CEXAM/rnase/rnase18.mtz \
HKLOUT $CCP4_SCR/rnase_simple_out.mtz \
XYZIN  $CEXAM/rnase/rnase.pdb \
XYZOUT $CCP4_SCR/rnase_simple_out.pdb << eor
#
# Input/output column assignments
#
LABIN FP=FNAT SIGFP=SIGFNAT FREE=FreeR_flag
NCYC 10
END
eor