Re^2: Calc distance between atoms in pdb file

in reply to Re: Calc distance between atoms in pdb file
in thread Calc distance between atoms in pdb file

I'm getting an error of uSE OF UNINITIALIZED VALUE IN SUBTRACTION AT LINE 47

foreach my $i ( 0 .. 1520) { 

    foreach my $j ( $i + 1 .. 1520 ) {

        my $dist = sqrt(
                ($arrayx[$i] - $arrayx[$j])**2 +
                ($arrayy[$i] - $arrayy[$j])**2 +
                ($arrayz[$i] - $arrayz[$j])**2
            );

        ## Adding $i and $j to your output will let you know what that

        print "$i <> $j : $dist\n";

    }
    }
exit 0;
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Re^3: Calc distance between atoms in pdb file by soonix (Chancellor) on Nov 14, 2016 at 11:17 UTC
Where do the `1520` come from? Obviously not from the originally posted code.	[reply] [d/l]
Re^4: Calc distance between atoms in pdb file by Anonymous Monk on Nov 14, 2016 at 15:57 UTC
I took the value to $count-1 ... that is where 1520 came from	[reply]

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