in reply to Re^3: Structure number
in thread Structure number

    if (@fields[2] ne G || A || C || G)

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The syntax and logic are wrong there.    The letter would be in  $fields[0] and that has to be explicitly compared for each letter and you want to use  && instead of  || for a negative comparison.    For example: 

    if ( $fields[0] ne 'G' && $fields[0] ne 'A' && $fields[0] ne 'C' &
+& $fields[0] ne 'G' )

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Re^5: Structure number
by AG87 (Acolyte) on Dec 02, 2010 at 09:02 UTC

    its still not working. The code is not omitting pairs/lines with these alphabets :(

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      its done thank you so much for your help. I was making a mistake in array index :)

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        Sir I have omitted the column containing alphabets but if a new 6th column is added into file, is it possible to modify the grep function? For example if the input file is

        536 ENERGY = -176.2 gag
        1 G 0 2 0 1
        2 G 1 3 533 2
        3 G 2 4 532 3
        536 ENERGY = -175.9 gag
        1 G 0 2 0 1
        2 G 1 3 533 2
        3 G 2 4 532 3

        The working code is 

         open(MYFILE, $data_file) || die("Could not open file!");
 {
my $energy;
while ( <MYFILE> ) {
    if ( /\bENERGY\b/ ) {
        ++$energy;
        next;
       }
       
    my ( $key, @fields ) = grep $_, split;
    for my $field ( @fields ) {
    if ( $field ne 'G' && $field ne 'A' && $field ne 'C' && $field ne 
+'G' )
    {
        print WRITE "$key $field $energy\n";
        }
    }
    }
    }
close(MYFILE);

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        How can I get the same output with 6th column (same as 1st column) added. As I cannot use if condition on it like i used for alphabets. Can you please guide/help me?

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[d/l]

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