Y 39 1jpeA
Y 40 1jpeA
L 41 1jpeA
Y 42 1jpeA
R 43 1jpeA
K 44 1jpeA
Q 45 1jpeA
L 72 1gtiA
G 73 1gtiA
R 74 1gtiA
S 75 1gtiA
L 76 1gtiA
etc ...1jpe,0,TYR,A,42
####
1jpe,0,CYS,A,109
1jpe,0,CYS,A,103
1jpe,0,TYR,A,42
1jpe,0,ASP,A,68
1jpe,0,TYR,A,71
1jpe,0,PHE,A,70
etc ...
##
##
1jpeA 42
##
##
Y 42 1jpeA (from file 1)
1jpe,0,TYR,A,42 (from file 2)
##
##
#!/usr/local/bin/perl
use strict;
use warnings;
my $aa;
my $num;
my $str;
my $hashlookup;
my $pdb;
my $csanum;
my $chain;
my $resfile = shift;
my $csafile = shift;
my %hash;
open(RESFILE, "$resfile") or die "unable to open $resfile: $!\n";
open(CSAFILE, "$csafile") or die "unable to open $csafile: $!\n";
#my @resarray = ;
#close(RESFILE);
my @csaarray = ;
close(CSAFILE);
#for (my $i = 0; $i < @resarray; $i++)
while()
{
#my @array = split /\s+/, $resarray[$i];
my @array = split /\s+/, $_;
# lets do a test print
$aa = $array[0];
$num = $array[1];
$str = $array[2];
$str = substr($str, 0, 5);
#print "test $str $num $aa\n";
for (my $j = 0; $j < @csaarray; $j++)
{
my @fields = split /\,/, $csaarray[$j];
$pdb = $fields[0];
$csanum = $fields[4];
$chain = $fields[3];
#print "test2 $pdb $csanum $chain\n";
my $pdbchain = "$pdb" . "$chain";
if("$str" eq "$pdbchain")
{
if (!$hash{$str}{$csanum})
{
$hash{$str}{$csanum}++;
print "$str $csanum\n";
}
}
}
}