I'm sorry code works this is my first HTML post, this line is printing an extra + but I have to go home from work now

#!/usr/bin/perl
@coords_i=();@coords_j=();
open (IN,"CONTCAR");
open (OUT,">OUTPUT");
$k=$go=$i=0;
while($line=<IN>){
$lines[$i]=$line;
$i++;
}
for ($j=0;$j<$i;$j++){
$go++ if $lines[$j]=~/Direct/;
$go=0 if $lines[$j]=~/0.00000000E/;
if ($go>0){
if(($x,$y,$z)=$lines[$j]=~/^\s*([-+]?\d+\.\d+)\s+([-+]?\d+\.\d+)\s+([-
++]?\d+\.\d+)/){
$coords_i[$k]=sprintf("%.5f:%.5f:%.5f",$x,$y,$z);
$coords_j[$k]=sprintf("%.5f:%.5f:%.5f",$x,$y,$z);
$k++;
}
}
}
$n=1;
foreach $atom (@coords_i){
print OUT "ATOM$n: $atom\n";
        foreach $atom1 (@coords_j){
unless($atom eq $atom1){
($x,$y,$z) = split(/:/,$atom);
($x1,$y1,$z1) = split(/:/,$atom1);
&distance;
}
        }
$n++;
}
sub distance {
$a1=($x1-$x);$b1=($y1-$y);$c1=($z1-$z);
$r1=sqrt(($a1*$a1)+($b1*$b1)+($c1*$c1));
$distance=sprintf("%.5f",$r1);
print OUT "$atom to $atom1\nDistance $distance\n";
}
close (OUT);
print STDERR "Done.\n";

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In reply to Re: XYZ Manipulation by segaknight
in thread XYZ Manipulation by jcklasseter

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