#!/usr/bin/perl -w use strict; open (MYFILE, "2hgs_d00_internal_nrg_e.dat"); open (NEWF, "2HGS_bio_conv-min_p.pdb"); while () { chomp; # avoid \n at the end of each line if ($_ =~/ENERGY/) { for(my $count=1;$count<=1;$count++){ my $chn = substr $_, 20, 3; my $nrgval = substr $_, 35, 8; while () { chomp; # avoid \n at the end of each line if ($_ =~/ATOM/){ for(my $count2=1;$count2<=1;$count2++){ my $chn2 = substr $_, 23, 3; my $toprint = substr $_, 0, 65; for($chn=1;$chn<=$chn2;$chn++){ if ($chn==$chn2){ print " $toprint $nrgval \n"; } } } } } } } } #### for(count2=1;$count2<=1;$count2++){ #stuff } #### #!/usr/bin/perl for (my $count2=1; $count2<=1; $count2++) { print "Count2: $count2\n"; }