3 if [ "$1" == "1l2y_csa_4P" ]; then
4 file=1l2y_csa_4P.CSA.history
5 elif [ "$1" == "1l2y_csa_local_4P" ]; then
6 file=1l2y_csa_local_4P.CSA.history
12 if [ ! -f $file ]; then
13 echo "CRITICAL: out $file do not exist"
17 emin=`grep jlee $file |awk '{print $10}'`
20 if [ "$1" == "1l2y_csa_4P" ]; then
21 echo 'difference ' `echo "a=$emin+215.41208;if(0>a)a*=-1;a"|bc -l` ' from reference emin -215.41208'
22 if [ `echo "a=$emin+215.41208;if(0>a)a*=-1;a>5.0"|bc -l` != "0" ]; then
23 echo 'ERROR difference from reference emin -215.41208 greater than 5.0'
26 elif [ "$1" == "1l2y_csa_local_4P" ]; then
27 echo 'difference ' `echo "a=$emin+200.13486;if(0>a)a*=-1;a"|bc -l` ' from reference emin -200.13486'
28 grep rms 1l2y_csa_local_4P*.pdb
29 if [ `echo "a=$emin+200.13486;if(0>a)a*=-1;a>5.0"|bc -l` != "0" ]; then
30 echo 'ERROR difference from reference emin 200.13486 greater than 5.0'