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
我使用以下AWK表达式扫描日志并打印行号+第2列、第3列和第5列,同时跳过第一行(标题(:
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
我如何修改这个gawk表达式以将筛选器设置为第三列,屏蔽初始日志中包含正值的所有行?值得注意的是,因为linnes已经根据第三列中的值进行了排列,所以基本上每次我都需要提交最后N行(第三列为正值(。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?
如何修改此gawk表达式以将筛选器设置为第三列skeeping初始日志中包含正值的所有行
在awk
条件下,您可以使用&&
表示AND,使用||
表示OR,请尝试以下操作:
(NR>1 && $3<0.0){ print ++lineNumber, $2, $3, $5 }
您能否尝试以下内容,仅基于您显示的示例,使用GNUawk
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
解释:添加以上详细解释。
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.
所示样品的输出如下:
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