Isn't some modification possible in my code/logic to have the desired output? Actually columns and rows are being added up in the file. and the i cant modify the "grep" condition accordingly. For example i want the same output for the file as follows

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

here the second and the sixth column is added. I have been able to omit the 2nd column but how can i omit the 6th column? The 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' && $field ne 
+'G' )
    {
        print "$key $field $energy\n";
        }
    }
    }
    }
close(MYFILE);

[download]

your help will really be appreciated. Thanks

In reply to Re^3: Structure number by AG87
in thread Structure number by AG87

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