awk：根据所选列中的值过滤日志文件

Question

处理这种以多列格式排列的输入数据：

#dlgfn #in cluster #LE #rmsd #ats #tors #h_ats #lig_eff 
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_12_lig_cne_177,1, -2.3600, 238.8992,  80, 29, 2, -0.0303
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_08_lig_cne_177,1, -2.0900, 238.8239,  80, 29, 2, -0.0268
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_08_lig_cne_177,1, -1.9600, 239.3082,  80, 29, 2, -0.0251
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_12_lig_cne_177,1, -1.9300, 238.6729,  80, 29, 2, -0.0247
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_12_lig_cne_177,2, -1.5500, 239.4734,  80, 29, 2, -0.0199
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_12_lig_cne_177,1, -1.0900, 240.2418,  80, 29, 2, -0.0140
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_08_lig_cne_177,1, -0.7700, 212.9619,  80, 29, 2, -0.0099
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_09_lig_cne_177,3, -0.7200, 218.4045,  80, 29, 2, -0.0092
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_09_lig_cne_177,2, -0.6800, 201.6466,  80, 29, 2, -0.0087
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_10_lig_cne_177,2, -0.6300, 240.4892,  80, 29, 2, -0.0081
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_10_lig_cne_177,1, -0.5400, 240.1765,  80, 29, 2, -0.0069
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_09_lig_cne_177,1, -0.5000, 215.6699,  80, 29, 2, -0.0064
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_07_lig_cne_177,1, -0.3800, 199.5818,  80, 29, 2, -0.0049
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_10_lig_cne_177,2, -0.3400, 240.5046,  80, 29, 2, -0.0044
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_09_lig_cne_177,1, -0.3300, 218.2226,  80, 29, 2, -0.0042
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_12_lig_cne_177,1, -0.2700, 231.5438,  80, 29, 2, -0.0035
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_05_lig_cne_177,1, -0.0600, 200.8627,  80, 29, 2, -0.0008
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_04_lig_cne_177,2, -0.0300, 220.3135,  80, 29, 2, -0.0004
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_09_lig_cne_177,1, -0.0000, 221.4531,  80, 29, 2, -0.0000
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_08_lig_cne_177,1,  0.0300, 231.2099,  80, 29, 2,  0.0004
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_12_lig_cne_177,1,  0.0400, 240.5225,  80, 29, 2,  0.0005
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_12_lig_cne_177,1,  0.0500, 232.5498,  80, 29, 2,  0.0006
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_12_lig_cne_177,1,  0.0600, 229.8094,  80, 29, 2,  0.0008
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_11_lig_cne_177,2,  0.2300, 218.2757,  80, 29, 2,  0.0029
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_09_lig_cne_177,3,  0.2700, 220.3585,  80, 29, 2,  0.0035
/Users/gleb/Desktop/scripts/analys_clusters/sub_folders_to_analyse/7000_cne_lig177.AllBoxes/7000_09_lig_cne_177,1,  0.3700, 219.5366,  80, 29, 2,  0.0047

我正在使用以下 AWK 表达式扫描日志并打印行号 + 第 2、3 和 5 列，同时跳过第一（标题）行：

   gawk -F'^[^,]*,|, ' 'NR> 1{ print ++lineNumber, $2, $3, $5 }' OFS=', ' "${tmp}"/${dir_name}_cl_${c}.txt >> "${tmp}"/${dir_name}_RG_${c_mod}_proc.csv

获得这样的输出：

ID, POP, dG, LIG
1, 1, -2.3600,  80
2, 1, -2.0900,  80
3, 1, -1.9600,  80
4, 1, -1.9300,  80
5, 2, -1.5500,  80
6, 1, -1.0900,  80
7, 1, -0.7700,  80
8, 3, -0.7200,  80
9, 2, -0.6800,  80
10, 2, -0.6300,  80
11, 1, -0.5400,  80
12, 1, -0.5000,  80
13, 1, -0.3800,  80
14, 2, -0.3400,  80
15, 1, -0.3300,  80
16, 1, -0.2700,  80
17, 1, -0.0600,  80
18, 2, -0.0300,  80
19, 1, -0.0000,  80
20, 1,  0.0300,  80
21, 1,  0.0400,  80
22, 1,  0.0500,  80
23, 1,  0.0600,  80

如何修改此 gawk 表达式以将过滤器设置为第 3 列以保持初始日志中的所有行都包含正值？值得注意的是，因为 linnes 已经根据第 3 列中的值排列，所以基本上每次我都需要省略最后 N 行（第三列中的正值）。或者，我可以使用一些 sed 表达式（带 -i）来编辑现有文件，删除那些 linnes 吗？

Answer 1

您能否尝试以下操作，仅基于您显示的示例，使用 GNU awk 编写和测试。

awk -F',[[:space:]]*' -v OFS=", " '
FNR==1{
  print "ID, POP, dG, LIG"
  next
}
$3<0{
  print ++line,2,$3,$5
}
$3>=0{ exit }'  Input_file

说明：为上述添加详细说明。

awk -F',[[:space:]]*' -v OFS=", " '  ##Starting awk program from here, setting FS as comma with spaces and OFS as comma space.
FNR==1{                              ##checking condition if this is first line then do following.
  print "ID, POP, dG, LIG"           ##Printing header here.
  next                               ##next will skip further statements from here.
}
$3<0{
  print ++line,2,$3,$5              ##Printing FNR-1, 2nd 3rd and 5th fields here.
}'  Input_file                       ##Mentioning Input_file name here.

所示样本的输出如下：

ID, POP, dG, LIG
1, 2, -2.3600, 80
2, 2, -2.0900, 80
3, 2, -1.9600, 80
4, 2, -1.9300, 80
5, 2, -1.5500, 80

Answer 2

如何修改这个 gawk 表达式以将过滤器设置为第 3 列，以保持初始日志中的所有行都包含正值？

您可以在awk 条件下使用&& 和|| 作为OR，请尝试以下操作：

(NR>1 && $3<0.0){ print ++lineNumber, $2, $3, $5 }