View difference between Paste ID: A1ZFavQ7 and n3eAW4FR

 #!/usr/bin/perl
 #
 # nuskaityti bindingdb sdf failus
 # H-Se/DB26984_50278320.sdf kaip testas imtas
 #
 # VR
 #
 
 #use warnings;
 use Data::Dumper;
 
 
 #nuskaityti failus i @molekules
 die "usage VR_bindingdb_parse.pl file.sdf" if (@ARGV != 1);
 $FILE = $ARGV[0];
 open FILE, "<", $FILE or die $!;
 $x=0;
 $key='str';
 while(<FILE>) {
  chop($_);
  next if ($_ =~ /^$/);   #jei eilute tuscia praleidziam
  if ($_ =~ /\$\$\$\$/) { #jei eiluteje yra: $$$$
   $x++;
   $key = 'str';
   next;
  }
  #print $x, $_;
  if ($_ =~ /^\>/) {      #jei eilute prasideda: >
   chop();
   $_ =~ s/>  <//;
   $key = $_;
  } else {
   #$molekules[molekules nr.]{irasas}
   push @{ $molekules[$x]{$key} }, $_;
  }
 }
 close FILE;
 #print STDERR Dumper \@molekules;
 print $FILE, "\n";
 
 
 #rasti nuo kur prasideda kitokia molekule
 #pirmoji kita yra $ta_pati+1
 kita();
 sub kita {
 $y=0;
 print $y;
 $ta_pati=0;
 while($molekules[$y]{'str'}) {
  #print STDERR Dumper $molekules[$y]{'str'}, "\n";
  $z=0;
  while($molekules[$y]{'str'}[$z]) {
   #jei z eilute nesutampa y ir y+1 nors karta tai kita molekule
   if ($molekules[$y]{'str'}[$z] ne $molekules[$y+1]{'str'}[$z]) {
    $ta_pati=$y;
    #print STDERR $y, " :", $molekules[$y]{'str'}[$z], " ir ", $molekules[$y+1]{'str'}[$z], "\n";
    last;
   }
   $z++;
  }
  last if ($ta_pati);
  $y++;
 }
 }
-print STDERR Dumper $molekules[$ta_pati+1]{'str'}, "\n";
+#print STDERR Dumper $molekules[0], "\n";
 
 
 #Surinkti Ki vertes i du array:
 $x=0;
 while($molekules[$x]{'Enzymologic: Ki nM'}) {
 #tik jei Ki apibrezta
 if ($molekules[$x]{'Enzymologic: Ki nM'} > 0) {
  if ($x <= $ta_pati) {
   push @pirma, $molekules[$x]{'Enzymologic: Ki nM'};
  } else {
   push @antra, $molekules[$x]{'Enzymologic: Ki nM'};
  }
 }
 $x++;
 }
 print STDERR "Ki ", $molekules[0]{'BindingDB Display Name'}[0], " molekulei:\n";
 print STDERR Dumper @pirma;
 print STDERR "Ki ", $molekules[$ta_pati+1]{'BindingDB Display Name'}[0], " molekulei:\n";
 print STDERR Dumper @antra;