awk：处理日志和搜索模式
awk: processing log and search pattern
我正在处理按以下格式排列的日志文件：
fƒdfFinding intramodel H-bonds
Constraints relaxed by 0.5 angstroms and 20 degrees
Models used:
1.1 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.2 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.3 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.4 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.5 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.6 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.7 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.8 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.9 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.10 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.11 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.12 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.13 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.14 SarsCov2_structure49R_nsp5holo_rep1.pdb
14 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/? ASN 142 ND2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/? ASN 142 1HD2 3.102 2.145
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/? GLU 166 H 3.011 2.024
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/? GLU 166 H 3.037 2.132
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? HIS 163 NE2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/A UNL 888 O no hydrogen 3.388 N/A
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? GLU 166 H 2.806 1.792
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? THR 26 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? THR 26 H 3.093 2.142
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? GLY 143 H 3.030 2.193
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/? GLN 189 NE2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/? GLN 189 2HE2 3.052 2.301
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/? GLU 166 H 2.854 1.868
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/? GLY 143 H 3.103 2.070
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? GLY 143 H 3.161 2.224
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? CYS 145 SG SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? CYS 145 HG 3.421 2.842
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? ASN 142 ND2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? ASN 142 2HD2 3.055 2.465
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? CYS 145 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? CYS 145 H 2.924 2.143
我需要找到“GLU 166 N”模式的第一次出现，并在模式之前的同一行上打印与此模式关联的数字 #1.number/?。所以在这个例子中，检测到的数字应该是 3（因为关联数字是#1.3/?）。
我将从基本模式检测开始
awk '/GLU 166 N/' file
但是如何正确找到模式之前定义的数字并将其打印为输出？最后，如果找不到模式，我希望脚本打印 1.
$ awk -vn=1 '/GLU 166 N/ {gsub(/.*\.|\/\?/,"",); n=; exit} END {print n}' file
3
$ awk -vn=1 '/GLU 166 N/ {gsub(/.*\.|\/\?/,"",); n=; exit} END {print n}' /dev/null
1
您要查找的内容在第二个字段中 (</code>)。 <code>gsub(/.*\.|\/\?/,"",) 将 </code> 中的所有前导字符替换为（包括）句点，并将尾随 <code>/? 替换为空字符串。
如果有支持gensub功能的GNU awk，请试一下：
awk '/GLU 166 N/ {
print gensub(/^.*#1\.([0-9]+)\/\? GLU 166 N.*$/, "\1", 1)
exit
}' file
正则表达式 ^.*#1\.([0-9]+)/\? GLU 166 N.*$ 匹配带有子字符串 #1.<number>/? "GLU 166 N 的行。 <number> 部分，在正则表达式中用括号括起来，如 ([0-9]+) 被捕获为第 1 组，然后整行被第 1 组替换，这被指定为替换 \1, 然后它被打印为结果。
或者你可以说 GNU sed 为：
sed -nE '0,/GLU 166 N/s|^.*#1\.([0-9]+)/\? GLU 166 N.*||p' file
地址 0,/pattern/，其中 0 特定于 GNU sed 作为起始行，使脚本在第一个模式匹配后立即退出。
将 GNU awk 用于 match() 的第三个参数：
$ awk 'match([=10=],/([0-9]+).. GLU 166 N /,a){print a[1]; exit}' file
3
或使用任何 awk:
$ awk 'match([=11=],/[0-9]+.. GLU 166 N /){sub("/.*",""); print substr([=11=],RSTART); exit}' file
3
$ awk 'match([=11=],/[0-9]+.. GLU 166 N /){print substr([=11=],RSTART,RLENGTH-13); exit}' file
3
如果awk不是必需的，您可以使用grep和cut。简单就好。
λ cat input.txt
fƒdfFinding intramodel H-bonds
Constraints relaxed by 0.5 angstroms and 20 degrees
Models used:
1.1 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.2 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.3 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.4 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.5 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.6 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.7 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.8 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.9 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.10 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.11 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.12 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.13 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.14 SarsCov2_structure49R_nsp5holo_rep1.pdb
14 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/? ASN 142 ND2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/? ASN 142 1HD2 3.102 2.145
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/? GLU 166 H 3.011 2.024
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/? GLU 166 H 3.037 2.132
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? HIS 163 NE2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/A UNL 888 O no hydrogen 3.388 N/A
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? GLU 166 H 2.806 1.792
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? THR 26 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? THR 26 H 3.093 2.142
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? GLY 143 H 3.030 2.193
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/? GLN 189 NE2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/? GLN 189 2HE2 3.052 2.301
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/? GLU 166 H 2.854 1.868
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/? GLY 143 H 3.103 2.070
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? GLY 143 H 3.161 2.224
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? CYS 145 SG SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? CYS 145 HG 3.421 2.842
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? ASN 142 ND2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? ASN 142 2HD2 3.055 2.465
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? CYS 145 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? CYS 145 H 2.924 2.143
grep -om1 '[[:digit:]]*/? GLU 166 N' input.txt | cut -d/ -f1
3
未找到模式时打印1：
{ grep -om1 '[[:digit:]]*/? GLU 166 N' input.txt || echo 1; } | cut -d/ -f1
我正在处理按以下格式排列的日志文件：
fƒdfFinding intramodel H-bonds
Constraints relaxed by 0.5 angstroms and 20 degrees
Models used:
1.1 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.2 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.3 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.4 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.5 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.6 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.7 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.8 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.9 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.10 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.11 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.12 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.13 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.14 SarsCov2_structure49R_nsp5holo_rep1.pdb
14 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/? ASN 142 ND2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/? ASN 142 1HD2 3.102 2.145
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/? GLU 166 H 3.011 2.024
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/? GLU 166 H 3.037 2.132
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? HIS 163 NE2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/A UNL 888 O no hydrogen 3.388 N/A
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? GLU 166 H 2.806 1.792
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? THR 26 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? THR 26 H 3.093 2.142
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? GLY 143 H 3.030 2.193
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/? GLN 189 NE2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/? GLN 189 2HE2 3.052 2.301
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/? GLU 166 H 2.854 1.868
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/? GLY 143 H 3.103 2.070
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? GLY 143 H 3.161 2.224
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? CYS 145 SG SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? CYS 145 HG 3.421 2.842
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? ASN 142 ND2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? ASN 142 2HD2 3.055 2.465
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? CYS 145 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? CYS 145 H 2.924 2.143
我需要找到“GLU 166 N”模式的第一次出现，并在模式之前的同一行上打印与此模式关联的数字 #1.number/?。所以在这个例子中，检测到的数字应该是 3（因为关联数字是#1.3/?）。
我将从基本模式检测开始
awk '/GLU 166 N/' file
但是如何正确找到模式之前定义的数字并将其打印为输出？最后，如果找不到模式，我希望脚本打印 1.
$ awk -vn=1 '/GLU 166 N/ {gsub(/.*\.|\/\?/,"",); n=; exit} END {print n}' file
3
$ awk -vn=1 '/GLU 166 N/ {gsub(/.*\.|\/\?/,"",); n=; exit} END {print n}' /dev/null
1
您要查找的内容在第二个字段中 (</code>)。 <code>gsub(/.*\.|\/\?/,"",) 将 </code> 中的所有前导字符替换为（包括）句点，并将尾随 <code>/? 替换为空字符串。
如果有支持gensub功能的GNU awk，请试一下：
awk '/GLU 166 N/ {
print gensub(/^.*#1\.([0-9]+)\/\? GLU 166 N.*$/, "\1", 1)
exit
}' file
正则表达式 ^.*#1\.([0-9]+)/\? GLU 166 N.*$ 匹配带有子字符串 #1.<number>/? "GLU 166 N 的行。 <number> 部分，在正则表达式中用括号括起来，如 ([0-9]+) 被捕获为第 1 组，然后整行被第 1 组替换，这被指定为替换 \1, 然后它被打印为结果。
或者你可以说 GNU sed 为：
sed -nE '0,/GLU 166 N/s|^.*#1\.([0-9]+)/\? GLU 166 N.*||p' file
地址 0,/pattern/，其中 0 特定于 GNU sed 作为起始行，使脚本在第一个模式匹配后立即退出。
将 GNU awk 用于 match() 的第三个参数：
$ awk 'match([=10=],/([0-9]+).. GLU 166 N /,a){print a[1]; exit}' file
3
或使用任何 awk:
$ awk 'match([=11=],/[0-9]+.. GLU 166 N /){sub("/.*",""); print substr([=11=],RSTART); exit}' file
3
$ awk 'match([=11=],/[0-9]+.. GLU 166 N /){print substr([=11=],RSTART,RLENGTH-13); exit}' file
3
如果awk不是必需的，您可以使用grep和cut。简单就好。
λ cat input.txt
fƒdfFinding intramodel H-bonds
Constraints relaxed by 0.5 angstroms and 20 degrees
Models used:
1.1 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.2 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.3 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.4 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.5 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.6 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.7 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.8 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.9 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.10 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.11 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.12 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.13 SarsCov2_structure49R_nsp5holo_rep1.pdb
1.14 SarsCov2_structure49R_nsp5holo_rep1.pdb
14 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/? ASN 142 ND2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.1/? ASN 142 1HD2 3.102 2.145
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.3/? GLU 166 H 3.011 2.024
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.4/? GLU 166 H 3.037 2.132
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? HIS 163 NE2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/A UNL 888 O no hydrogen 3.388 N/A
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.5/? GLU 166 H 2.806 1.792
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? THR 26 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? THR 26 H 3.093 2.142
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.7/? GLY 143 H 3.030 2.193
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/? GLN 189 NE2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.9/? GLN 189 2HE2 3.052 2.301
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/? GLU 166 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.10/? GLU 166 H 2.854 1.868
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.12/? GLY 143 H 3.103 2.070
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? GLY 143 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? GLY 143 H 3.161 2.224
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? CYS 145 SG SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.13/? CYS 145 HG 3.421 2.842
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? ASN 142 ND2 SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? ASN 142 2HD2 3.055 2.465
SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? CYS 145 N SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/A UNL 888 O SarsCov2_structure49R_nsp5holo_rep1.pdb #1.14/? CYS 145 H 2.924 2.143
grep -om1 '[[:digit:]]*/? GLU 166 N' input.txt | cut -d/ -f1
3
未找到模式时打印1：
{ grep -om1 '[[:digit:]]*/? GLU 166 N' input.txt || echo 1; } | cut -d/ -f1