in reply to Re: Structure number
in thread Structure number

Thanks

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Re^3: Structure number
by AG87 (Acolyte) on Dec 02, 2010 at 17:03 UTC

    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);

    your help will really be appreciated. Thanks