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I am having a file that looks like this:

PEBP1_HUMAN Homo sapiens    P30086  PDB; 1BD9; X-ray; 2.05 A; A/B=1-187.
                    PDB; 1BEH; X-ray; 1.75 A; A/B=1-187.
                    PDB; 2L7W; NMR; -; A=1-187.
                    PDB; 2QYQ; X-ray; 1.95 A; A=1-187.

PECA1_HUMAN Homo sapiens    P16284  PDB; 2KY5; NMR; -; A=686-738.
                    PDB; 5C14; X-ray; 2.80 A; A/B=28-229.
                    PDB; 5GEM; X-ray; 3.01 A; A/B=28-232.

PELO_HUMAN  Homo sapiens    Q9BRX2  PDB; 1X52; NMR; -; A=261-371.
                    PDB; 5EO3; X-ray; 2.60 A; A/B=265-385.
                    PDB; 5LZW; EM; 3.53 A; ii=1-385.
                    PDB; 5LZX; EM; 3.67 A; ii=1-385.
                    PDB; 5LZY; EM; 3.99 A; ii=1-385.
                    PDB; 5LZZ; EM; 3.47 A; ii=1-385.

From this file I want to match all EM; elements that are found just after PDB; (four letter code); EM;. So under this column either X-ray;, NMR; or EM; can be found. For those lines that have EM; remove them. Is there some bash command that I can use to match these elements and remove these lines?

Importantly when matching it put the space before EM, so match it with space, like EM;.

Expected result is:

PEBP1_HUMAN Homo sapiens    P30086  PDB; 1BD9; X-ray; 2.05 A; A/B=1-187.
                    PDB; 1BEH; X-ray; 1.75 A; A/B=1-187.
                    PDB; 2L7W; NMR; -; A=1-187.
                    PDB; 2QYQ; X-ray; 1.95 A; A=1-187.

PECA1_HUMAN Homo sapiens    P16284  PDB; 2KY5; NMR; -; A=686-738.
                    PDB; 5C14; X-ray; 2.80 A; A/B=28-229.
                    PDB; 5GEM; X-ray; 3.01 A; A/B=28-232.

PELO_HUMAN  Homo sapiens    Q9BRX2  PDB; 1X52; NMR; -; A=261-371.
                    PDB; 5EO3; X-ray; 2.60 A; A/B=265-385.

2 Answers 2

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awk can do that:

awk '{if(!($1=="PDB;"&&$3=="EM;")){print}}' <yourfile

This tests if the first column (by default whitespaces are taken as the delimiter) of the current line is PDB; and the third column is EM; and prints the line only if not both are true.

Output

$ awk '{if(!($1=="PDB;"&&$3=="EM;")){print}}' <test
PEBP1_HUMAN Homo sapiens    P30086  PDB; 1BD9; X-ray; 2.05 A; A/B=1-187.
                    PDB; 1BEH; X-ray; 1.75 A; A/B=1-187.
                    PDB; 2L7W; NMR; -; A=1-187.
                    PDB; 2QYQ; X-ray; 1.95 A; A=1-187.

PECA1_HUMAN Homo sapiens    P16284  PDB; 2KY5; NMR; -; A=686-738.
                    PDB; 5C14; X-ray; 2.80 A; A/B=28-229.
                    PDB; 5GEM; X-ray; 3.01 A; A/B=28-232.

PELO_HUMAN  Homo sapiens    Q9BRX2  PDB; 1X52; NMR; -; A=261-371.
                    PDB; 5EO3; X-ray; 2.60 A; A/B=265-385.
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You could do something like this - using perl's paragraph mode:

$ perl -F'\n' -00le 'print join "\n", grep { !/PDB; ....; EM;/ } @F' file
PEBP1_HUMAN Homo sapiens    P30086  PDB; 1BD9; X-ray; 2.05 A; A/B=1-187.
                    PDB; 1BEH; X-ray; 1.75 A; A/B=1-187.
                    PDB; 2L7W; NMR; -; A=1-187.
                    PDB; 2QYQ; X-ray; 1.95 A; A=1-187.

PECA1_HUMAN Homo sapiens    P16284  PDB; 2KY5; NMR; -; A=686-738.
                    PDB; 5C14; X-ray; 2.80 A; A/B=28-229.
                    PDB; 5GEM; X-ray; 3.01 A; A/B=28-232.

PELO_HUMAN  Homo sapiens    Q9BRX2  PDB; 1X52; NMR; -; A=261-371.
                    PDB; 5EO3; X-ray; 2.60 A; A/B=265-385.
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