我有一个看起来像这样的数据集
pdbid ch spacegroup ph uniprotacc name
5TUE A P 21 21 21 A0A059WYP6 Tetracycline destructase Tet(50)
5TUE B P 21 21 21 A0A059WYP6 Tetracycline destructase Tet(50)
5TUF A P 21 21 21 A0A059WYP6 Tetracycline destructase Tet(50)
5TUF B P 21 21 21 A0A059WYP6 Tetracycline destructase Tet(50)
5TUI A P 21 21 21 A0A059WYP6 Tetracycline destructase Tet(50)
5TUI B P 21 21 21 A0A059WYP6 Tetracycline destructase Tet(50)
6J3M A F 41 3 2 A0A059ZFC5 Phosphopantetheine adenylyltransferase
6JNH A F 41 3 2 A0A059ZFC5 Phosphopantetheine adenylyltransferase
6JOG A F 41 3 2 5.6 A0A059ZFC5 Phosphopantetheine adenylyltransferase
4BRZ A P 1 21 1 7 A0A067XG63 HALOALKANE DEHALOGENASE
4BRZ B P 1 21 1 7 A0A067XG63 HALOALKANE DEHALOGENASE
4C6H A P 21 21 2 A0A067XG66 HALOALKANE DEHALOGENASE
我想根据第 5 列(uniprotacc(计算每个条目。输出应该是这样的
pdbid ch spacegroup ph uniprotacc newval name
5TUE A P 21 21 21 A0A059WYP6 1 Tetracycline destructase Tet(50)
5TUE B P 21 21 21 A0A059WYP6 2 Tetracycline destructase Tet(50)
5TUF A P 21 21 21 A0A059WYP6 3 Tetracycline destructase Tet(50)
5TUF B P 21 21 21 A0A059WYP6 4 Tetracycline destructase Tet(50)
5TUI A P 21 21 21 A0A059WYP6 5 Tetracycline destructase Tet(50)
5TUI B P 21 21 21 A0A059WYP6 6 Tetracycline destructase Tet(50)
6J3M A F 41 3 2 A0A059ZFC5 1 Phosphopantetheine adenylyltransferase
6JNH A F 41 3 2 A0A059ZFC5 2 Phosphopantetheine adenylyltransferase
6JOG A F 41 3 2 5.6 A0A059ZFC5 3 Phosphopantetheine adenylyltransferase
4BRZ A P 1 21 1 7 A0A067XG63 1 HALOALKANE DEHALOGENASE
4BRZ B P 1 21 1 7 A0A067XG63 2 HALOALKANE DEHALOGENASE
4C6H A P 21 21 2 A0A067XG66 1 HALOALKANE DEHALOGENASE
我不知道，我想也许 awk甚至 libreoffice-calc 可以轻松完成这项工作。但任何帮助都是值得赞赏的。
文件是一个tsv意思是制表符分隔的文件。
这是一个awk脚本解决方案。
脚本.awk
BEGIN {FS = OFS = "t"}
NR==1 {$NF = "newval" OFS $NF}
NR>1 {$NF = ++seen[$(NF - 1)] OFS $NF}
1
运行：
awk -f script.awk input.tsv
输出：
pdbid ch spacegroup ph uniprotacc newval name
5TUE A P 21 21 21 A0A059WYP6 1 Tetracycline destructase Tet(50)
5TUE B P 21 21 21 A0A059WYP6 2 Tetracycline destructase Tet(50)
5TUF A P 21 21 21 A0A059WYP6 3 Tetracycline destructase Tet(50)
5TUF B P 21 21 21 A0A059WYP6 4 Tetracycline destructase Tet(50)
5TUI A P 21 21 21 A0A059WYP6 5 Tetracycline destructase Tet(50)
5TUI B P 21 21 21 A0A059WYP6 6 Tetracycline destructase Tet(50)
6J3M A F 41 3 2 A0A059ZFC5 1 Phosphopantetheine adenylyltransferase
6JNH A F 41 3 2 A0A059ZFC5 2 Phosphopantetheine adenylyltransferase
6JOG A F 41 3 2 5.6 A0A059ZFC5 3 Phosphopantetheine adenylyltransferase
4BRZ A P 1 21 1 7 A0A067XG63 1 HALOALKANE DEHALOGENASE
4BRZ B P 1 21 1 7 A0A067XG63 2 HALOALKANE DEHALOGENASE
4C6H A P 21 21 2 A0A067XG66 1 HALOALKANE DEHALOGENASE
脚本说明：
BEGIN { # pre processing
FS = "t"; # assign input field separator to "t" tab
OFS = "t"; # assign ouput field separator to "t" tab
}
NR==1 { # processing first line
# $NF is the last field in input line
$NF = "newval" OFS $NF; # prefix last field with "newval" and tab
}
NR>1 { # processing non first line
# $(NF - 1) is the befroe last field in input line. Such as A0A059WYP6
# seen[$(NF - 1)] is an array couning the occurance of $(NF - 1)
# ++seen[$(NF - 1)] is an incremented array couning the occurance of $(NF - 1)
$NF = ++seen[$(NF - 1)] OFS $NF; # prefix last field with an incremented array couning the occurance of $(NF - 1) and tab
}
{print} # print every processed line
在 Calc 中，将此公式放在第F列的第二行(newval列(中，然后向下拖动以填充。
=IF(E2=E1;F1+1;1)