# first parameter: model structure # second parameter: pdb structure # third parameter: distance threshold (3.5 is recommended) set model = $1 set pdb = $2 set threshold = $3 main $model $pdb $threshold > maxsub.out #REMARK HAS 35 AT RMS 1.920. WITH A COMPUTED GL SCORE OF 28.097 , MAXSUB: 0.208 set f = `grep MAXSUB maxsub.out` set ms = `echo $f | awk '{print $16;}'` set n = `echo $f | awk '{print $3;}'` echo $f set s = `echo $n $ms | awk '{if ($1>=40) {printf("%f\n",$2*10); exit;}; if ($2 < .1) {printf("0\n"); exit; }; if ($2>=.125 && $1 >=25) printf("%f\n",$2*10);else printf("0\n");}'` echo $s