sed：使用正则表达式从日志中删除空格
sed: remove spaces from the log using regular expression
我正在处理由以下格式的多行组成的日志：
06I: 31 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.1/? THR 26 N #1.1/A UNL 1 O #1.1/? THR 26 H 3.515 2.716
#1.1/? ASN 142 ND2 #1.1/A UNL 1 O #1.1/? ASN 142 2HD2 3.227 2.305
#1.1/A UNL 1 N #1.1/? THR 26 O #1.1/A UNL 1 H 3.463 2.652
#1.2/A UNL 1 N #1.2/? PHE 140 O #1.2/A UNL 1 H 2.987 2.200
#1.4/? THR 26 N #1.4/A UNL 1 S #1.4/? THR 26 H 4.354 3.371
#1.4/? HIS 163 NE2 #1.4/A UNL 1 N no hydrogen 3.137 N/A
#1.4/A UNL 1 N #1.4/? ARG 188 O #1.4/A UNL 1 H 3.000 2.081
#1.5/? HIS 163 NE2 #1.5/A UNL 1 N no hydrogen 3.330 N/A
#1.5/? GLN 189 NE2 #1.5/A UNL 1 O #1.5/? GLN 189 2HE2 3.029 2.132
#1.6/A UNL 1 N #1.6/? ARG 188 O #1.6/A UNL 1 H 2.984 2.064
#1.8/? ASN 142 ND2 #1.8/A UNL 1 N #1.8/? ASN 142 2HD2 3.164 2.395
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.031 2.180
#1.8/? GLN 189 NE2 #1.8/A UNL 1 O #1.8/? GLN 189 1HE2 3.276 2.553
#1.8/A UNL 1 N #1.8/? THR 190 O #1.8/A UNL 1 H 3.257 2.407
#1.9/A UNL 1 N #1.9/? THR 190 O #1.9/A UNL 1 H 2.913 2.037
#1.10/? SER 144 OG #1.10/A UNL 1 S #1.10/? SER 144 HG 4.246 3.845
#1.10/? HIS 163 NE2 #1.10/A UNL 1 S no hydrogen 3.700 N/A
#1.10/A UNL 1 N #1.10/? THR 190 O #1.10/A UNL 1 H 3.008 2.091
#1.12/? GLN 189 NE2 #1.12/A UNL 1 O #1.12/? GLN 189 1HE2 2.929 2.152
#1.12/A UNL 1 N #1.12/? PHE 140 O #1.12/A UNL 1 H 2.912 2.012
#1.13/? ASN 142 ND2 #1.13/A UNL 1 O #1.13/? ASN 142 2HD2 3.063 2.291
#1.14/? HIS 41 NE2 #1.14/A UNL 1 S no hydrogen 3.919 N/A
#1.14/? ASN 142 ND2 #1.14/A UNL 1 O #1.14/? ASN 142 2HD2 2.802 1.872
#1.14/A UNL 1 N #1.14/? THR 190 O #1.14/A UNL 1 H 2.927 1.987
#1.16/? GLN 189 NE2 #1.16/A UNL 1 N #1.16/? GLN 189 1HE2 3.456 2.669
#1.16/? GLN 189 NE2 #1.16/A UNL 1 O #1.16/? GLN 189 1HE2 3.079 2.177
#1.16/A UNL 1 N #1.16/? THR 190 O #1.16/A UNL 1 H 2.967 1.987
#1.17/? ASN 142 ND2 #1.17/A UNL 1 N #1.17/? ASN 142 2HD2 3.218 2.294
#1.17/A UNL 1 N #1.17/? THR 190 O #1.17/A UNL 1 H 3.364 2.469
#1.18/? ASN 142 ND2 #1.18/A UNL 1 O #1.18/? ASN 142 2HD2 3.117 2.142
#1.20/? ASN 142 ND2 #1.20/A UNL 1 N #1.20/? ASN 142 2HD2 3.245 2.560
-----------------------------------------------------------------------------
structure30R: 21 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.4/? GLN 189 NE2 #1.4/A UNL 1 O #1.4/? GLN 189 1HE2 3.139 2.374
#1.5/? GLN 189 NE2 #1.5/A UNL 1 N #1.5/? GLN 189 2HE2 3.296 2.365
#1.7/? CYS 145 SG #1.7/A UNL 1 O #1.7/? CYS 145 HG 3.466 2.762
#1.7/A UNL 1 O #1.7/? LEU 141 O #1.7/A UNL 1 H 2.951 2.048
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.660 3.073
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 1HD2 2.965 2.162
#1.8/? CYS 145 SG #1.8/A UNL 1 O #1.8/? CYS 145 HG 3.480 2.556
#1.9/? HIS 163 NE2 #1.9/A UNL 1 O no hydrogen 3.272 N/A
#1.9/A UNL 1 O #1.9/? GLN 189 OE1 #1.9/A UNL 1 H 2.915 2.341
#1.10/? ASN 142 ND2 #1.10/A UNL 1 O #1.10/? ASN 142 2HD2 3.100 2.185
#1.10/? GLN 189 NE2 #1.10/A UNL 1 O #1.10/? GLN 189 1HE2 3.180 2.408
#1.10/A UNL 1 O #1.10/? GLU 166 O #1.10/A UNL 1 H 3.246 2.639
#1.11/? ASN 142 ND2 #1.11/A UNL 1 O #1.11/? ASN 142 2HD2 3.122 2.204
#1.11/? HIS 163 NE2 #1.11/A UNL 1 O no hydrogen 3.313 N/A
如您所见，有些行（由模式“无氢”+一些数字 os 空格组成）不符合格式，其中最后两个数字发生了显着偏移，例如no hydrogen 3.137 N/A
由于这些元素之间的空格数可能不同，我找不到使用 sed 删除所有无用空格的简单表达式，例如
sed -e "s/no hydrogen //g"
只会匹配特定行。
你可以建议我一些可以与 sed 一起使用的正则表达式来匹配所有由“无氢”组成的行并删除未使用的空格吗？
这是预期的输出：
06I: 31 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.1/? THR 26 N #1.1/A UNL 1 O #1.1/? THR 26 H 3.515 2.716
#1.1/? ASN 142 ND2 #1.1/A UNL 1 O #1.1/? ASN 142 2HD2 3.227 2.305
#1.1/A UNL 1 N #1.1/? THR 26 O #1.1/A UNL 1 H 3.463 2.652
#1.2/A UNL 1 N #1.2/? PHE 140 O #1.2/A UNL 1 H 2.987 2.200
#1.4/? THR 26 N #1.4/A UNL 1 S #1.4/? THR 26 H 4.354 3.371
#1.4/? HIS 163 NE2 #1.4/A UNL 1 N no hydrogen 3.137 N/A
#1.4/A UNL 1 N #1.4/? ARG 188 O #1.4/A UNL 1 H 3.000 2.081
#1.5/? HIS 163 NE2 #1.5/A UNL 1 N no hydrogen 3.330 N/A
#1.5/? GLN 189 NE2 #1.5/A UNL 1 O #1.5/? GLN 189 2HE2 3.029 2.132
#1.6/A UNL 1 N #1.6/? ARG 188 O #1.6/A UNL 1 H 2.984 2.064
#1.8/? ASN 142 ND2 #1.8/A UNL 1 N #1.8/? ASN 142 2HD2 3.164 2.395
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.031 2.180
#1.8/? GLN 189 NE2 #1.8/A UNL 1 O #1.8/? GLN 189 1HE2 3.276 2.553
#1.8/A UNL 1 N #1.8/? THR 190 O #1.8/A UNL 1 H 3.257 2.407
#1.9/A UNL 1 N #1.9/? THR 190 O #1.9/A UNL 1 H 2.913 2.037
#1.10/? SER 144 OG #1.10/A UNL 1 S #1.10/? SER 144 HG 4.246 3.845
#1.10/? HIS 163 NE2 #1.10/A UNL 1 S no hydrogen 3.700 N/A
#1.10/A UNL 1 N #1.10/? THR 190 O #1.10/A UNL 1 H 3.008 2.091
#1.12/? GLN 189 NE2 #1.12/A UNL 1 O #1.12/? GLN 189 1HE2 2.929 2.152
#1.12/A UNL 1 N #1.12/? PHE 140 O #1.12/A UNL 1 H 2.912 2.012
#1.13/? ASN 142 ND2 #1.13/A UNL 1 O #1.13/? ASN 142 2HD2 3.063 2.291
#1.14/? HIS 41 NE2 #1.14/A UNL 1 S no hydrogen 3.919 N/A
#1.14/? ASN 142 ND2 #1.14/A UNL 1 O #1.14/? ASN 142 2HD2 2.802 1.872
#1.14/A UNL 1 N #1.14/? THR 190 O #1.14/A UNL 1 H 2.927 1.987
#1.16/? GLN 189 NE2 #1.16/A UNL 1 N #1.16/? GLN 189 1HE2 3.456 2.669
#1.16/? GLN 189 NE2 #1.16/A UNL 1 O #1.16/? GLN 189 1HE2 3.079 2.177
#1.16/A UNL 1 N #1.16/? THR 190 O #1.16/A UNL 1 H 2.967 1.987
#1.17/? ASN 142 ND2 #1.17/A UNL 1 N #1.17/? ASN 142 2HD2 3.218 2.294
#1.17/A UNL 1 N #1.17/? THR 190 O #1.17/A UNL 1 H 3.364 2.469
#1.18/? ASN 142 ND2 #1.18/A UNL 1 O #1.18/? ASN 142 2HD2 3.117 2.142
#1.20/? ASN 142 ND2 #1.20/A UNL 1 N #1.20/? ASN 142 2HD2 3.245 2.560
-----------------------------------------------------------------------------
structure30R: 21 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.4/? GLN 189 NE2 #1.4/A UNL 1 O #1.4/? GLN 189 1HE2 3.139 2.374
#1.5/? GLN 189 NE2 #1.5/A UNL 1 N #1.5/? GLN 189 2HE2 3.296 2.365
#1.7/? CYS 145 SG #1.7/A UNL 1 O #1.7/? CYS 145 HG 3.466 2.762
#1.7/A UNL 1 O #1.7/? LEU 141 O #1.7/A UNL 1 H 2.951 2.048
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.660 3.073
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 1HD2 2.965 2.162
#1.8/? CYS 145 SG #1.8/A UNL 1 O #1.8/? CYS 145 HG 3.480 2.556
#1.9/? HIS 163 NE2 #1.9/A UNL 1 O no hydrogen 3.272 N/A
#1.9/A UNL 1 O #1.9/? GLN 189 OE1 #1.9/A UNL 1 H 2.915 2.341
#1.10/? ASN 142 ND2 #1.10/A UNL 1 O #1.10/? ASN 142 2HD2 3.100 2.185
#1.10/? GLN 189 NE2 #1.10/A UNL 1 O #1.10/? GLN 189 1HE2 3.180 2.408
#1.10/A UNL 1 O #1.10/? GLU 166 O #1.10/A UNL 1 H 3.246 2.639
#1.11/? ASN 142 ND2 #1.11/A UNL 1 O #1.11/? ASN 142 2HD2 3.122 2.204
#1.11/? HIS 163 NE2 #1.11/A UNL 1 O no hydrogen
使用sed
$ sed 's/\(no hydrogen \{12\}\)[[:space:]]\+//' input_fie
06I: 31 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.1/? THR 26 N #1.1/A UNL 1 O #1.1/? THR 26 H 3.515 2.716
#1.1/? ASN 142 ND2 #1.1/A UNL 1 O #1.1/? ASN 142 2HD2 3.227 2.305
#1.1/A UNL 1 N #1.1/? THR 26 O #1.1/A UNL 1 H 3.463 2.652
#1.2/A UNL 1 N #1.2/? PHE 140 O #1.2/A UNL 1 H 2.987 2.200
#1.4/? THR 26 N #1.4/A UNL 1 S #1.4/? THR 26 H 4.354 3.371
#1.4/? HIS 163 NE2 #1.4/A UNL 1 N no hydrogen 3.137 N/A
#1.4/A UNL 1 N #1.4/? ARG 188 O #1.4/A UNL 1 H 3.000 2.081
#1.5/? HIS 163 NE2 #1.5/A UNL 1 N no hydrogen 3.330 N/A
#1.5/? GLN 189 NE2 #1.5/A UNL 1 O #1.5/? GLN 189 2HE2 3.029 2.132
#1.6/A UNL 1 N #1.6/? ARG 188 O #1.6/A UNL 1 H 2.984 2.064
#1.8/? ASN 142 ND2 #1.8/A UNL 1 N #1.8/? ASN 142 2HD2 3.164 2.395
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.031 2.180
#1.8/? GLN 189 NE2 #1.8/A UNL 1 O #1.8/? GLN 189 1HE2 3.276 2.553
#1.8/A UNL 1 N #1.8/? THR 190 O #1.8/A UNL 1 H 3.257 2.407
#1.9/A UNL 1 N #1.9/? THR 190 O #1.9/A UNL 1 H 2.913 2.037
#1.10/? SER 144 OG #1.10/A UNL 1 S #1.10/? SER 144 HG 4.246 3.845
#1.10/? HIS 163 NE2 #1.10/A UNL 1 S no hydrogen 3.700 N/A
#1.10/A UNL 1 N #1.10/? THR 190 O #1.10/A UNL 1 H 3.008 2.091
#1.12/? GLN 189 NE2 #1.12/A UNL 1 O #1.12/? GLN 189 1HE2 2.929 2.152
#1.12/A UNL 1 N #1.12/? PHE 140 O #1.12/A UNL 1 H 2.912 2.012
#1.13/? ASN 142 ND2 #1.13/A UNL 1 O #1.13/? ASN 142 2HD2 3.063 2.291
#1.14/? HIS 41 NE2 #1.14/A UNL 1 S no hydrogen 3.919 N/A
#1.14/? ASN 142 ND2 #1.14/A UNL 1 O #1.14/? ASN 142 2HD2 2.802 1.872
#1.14/A UNL 1 N #1.14/? THR 190 O #1.14/A UNL 1 H 2.927 1.987
#1.16/? GLN 189 NE2 #1.16/A UNL 1 N #1.16/? GLN 189 1HE2 3.456 2.669
#1.16/? GLN 189 NE2 #1.16/A UNL 1 O #1.16/? GLN 189 1HE2 3.079 2.177
#1.16/A UNL 1 N #1.16/? THR 190 O #1.16/A UNL 1 H 2.967 1.987
#1.17/? ASN 142 ND2 #1.17/A UNL 1 N #1.17/? ASN 142 2HD2 3.218 2.294
#1.17/A UNL 1 N #1.17/? THR 190 O #1.17/A UNL 1 H 3.364 2.469
#1.18/? ASN 142 ND2 #1.18/A UNL 1 O #1.18/? ASN 142 2HD2 3.117 2.142
#1.20/? ASN 142 ND2 #1.20/A UNL 1 N #1.20/? ASN 142 2HD2 3.245 2.560
-----------------------------------------------------------------------------
structure30R: 21 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.4/? GLN 189 NE2 #1.4/A UNL 1 O #1.4/? GLN 189 1HE2 3.139 2.374
#1.5/? GLN 189 NE2 #1.5/A UNL 1 N #1.5/? GLN 189 2HE2 3.296 2.365
#1.7/? CYS 145 SG #1.7/A UNL 1 O #1.7/? CYS 145 HG 3.466 2.762
#1.7/A UNL 1 O #1.7/? LEU 141 O #1.7/A UNL 1 H 2.951 2.048
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.660 3.073
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 1HD2 2.965 2.162
#1.8/? CYS 145 SG #1.8/A UNL 1 O #1.8/? CYS 145 HG 3.480 2.556
#1.9/? HIS 163 NE2 #1.9/A UNL 1 O no hydrogen 3.272 N/A
#1.9/A UNL 1 O #1.9/? GLN 189 OE1 #1.9/A UNL 1 H 2.915 2.341
#1.10/? ASN 142 ND2 #1.10/A UNL 1 O #1.10/? ASN 142 2HD2 3.100 2.185
#1.10/? GLN 189 NE2 #1.10/A UNL 1 O #1.10/? GLN 189 1HE2 3.180 2.408
#1.10/A UNL 1 O #1.10/? GLU 166 O #1.10/A UNL 1 H 3.246 2.639
#1.11/? ASN 142 ND2 #1.11/A UNL 1 O #1.11/? ASN 142 2HD2 3.122 2.204
#1.11/? HIS 163 NE2 #1.11/A UNL 1 O no hydrogen
\(no hydrogen \{12\}\) - 在括号 (..) 内创建组匹配，具有 sed 的反向引用功能，稍后可以使用 </code> 返回。该命令也可以写成 <code>\(no hydrogen[[:space:]]\{12\}\) 以强调 space 的存在。这将包括单词 no hydrogen 后的 12 space 秒作为反向引用返回。
[[:space:]]\+ - 由于这不是小组赛的一部分，因此将被排除在外。这将匹配匹配词后所有剩余的 spaces 和我们希望保留在组匹配中的 12 spaces。
我正在处理由以下格式的多行组成的日志：
06I: 31 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.1/? THR 26 N #1.1/A UNL 1 O #1.1/? THR 26 H 3.515 2.716
#1.1/? ASN 142 ND2 #1.1/A UNL 1 O #1.1/? ASN 142 2HD2 3.227 2.305
#1.1/A UNL 1 N #1.1/? THR 26 O #1.1/A UNL 1 H 3.463 2.652
#1.2/A UNL 1 N #1.2/? PHE 140 O #1.2/A UNL 1 H 2.987 2.200
#1.4/? THR 26 N #1.4/A UNL 1 S #1.4/? THR 26 H 4.354 3.371
#1.4/? HIS 163 NE2 #1.4/A UNL 1 N no hydrogen 3.137 N/A
#1.4/A UNL 1 N #1.4/? ARG 188 O #1.4/A UNL 1 H 3.000 2.081
#1.5/? HIS 163 NE2 #1.5/A UNL 1 N no hydrogen 3.330 N/A
#1.5/? GLN 189 NE2 #1.5/A UNL 1 O #1.5/? GLN 189 2HE2 3.029 2.132
#1.6/A UNL 1 N #1.6/? ARG 188 O #1.6/A UNL 1 H 2.984 2.064
#1.8/? ASN 142 ND2 #1.8/A UNL 1 N #1.8/? ASN 142 2HD2 3.164 2.395
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.031 2.180
#1.8/? GLN 189 NE2 #1.8/A UNL 1 O #1.8/? GLN 189 1HE2 3.276 2.553
#1.8/A UNL 1 N #1.8/? THR 190 O #1.8/A UNL 1 H 3.257 2.407
#1.9/A UNL 1 N #1.9/? THR 190 O #1.9/A UNL 1 H 2.913 2.037
#1.10/? SER 144 OG #1.10/A UNL 1 S #1.10/? SER 144 HG 4.246 3.845
#1.10/? HIS 163 NE2 #1.10/A UNL 1 S no hydrogen 3.700 N/A
#1.10/A UNL 1 N #1.10/? THR 190 O #1.10/A UNL 1 H 3.008 2.091
#1.12/? GLN 189 NE2 #1.12/A UNL 1 O #1.12/? GLN 189 1HE2 2.929 2.152
#1.12/A UNL 1 N #1.12/? PHE 140 O #1.12/A UNL 1 H 2.912 2.012
#1.13/? ASN 142 ND2 #1.13/A UNL 1 O #1.13/? ASN 142 2HD2 3.063 2.291
#1.14/? HIS 41 NE2 #1.14/A UNL 1 S no hydrogen 3.919 N/A
#1.14/? ASN 142 ND2 #1.14/A UNL 1 O #1.14/? ASN 142 2HD2 2.802 1.872
#1.14/A UNL 1 N #1.14/? THR 190 O #1.14/A UNL 1 H 2.927 1.987
#1.16/? GLN 189 NE2 #1.16/A UNL 1 N #1.16/? GLN 189 1HE2 3.456 2.669
#1.16/? GLN 189 NE2 #1.16/A UNL 1 O #1.16/? GLN 189 1HE2 3.079 2.177
#1.16/A UNL 1 N #1.16/? THR 190 O #1.16/A UNL 1 H 2.967 1.987
#1.17/? ASN 142 ND2 #1.17/A UNL 1 N #1.17/? ASN 142 2HD2 3.218 2.294
#1.17/A UNL 1 N #1.17/? THR 190 O #1.17/A UNL 1 H 3.364 2.469
#1.18/? ASN 142 ND2 #1.18/A UNL 1 O #1.18/? ASN 142 2HD2 3.117 2.142
#1.20/? ASN 142 ND2 #1.20/A UNL 1 N #1.20/? ASN 142 2HD2 3.245 2.560
-----------------------------------------------------------------------------
structure30R: 21 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.4/? GLN 189 NE2 #1.4/A UNL 1 O #1.4/? GLN 189 1HE2 3.139 2.374
#1.5/? GLN 189 NE2 #1.5/A UNL 1 N #1.5/? GLN 189 2HE2 3.296 2.365
#1.7/? CYS 145 SG #1.7/A UNL 1 O #1.7/? CYS 145 HG 3.466 2.762
#1.7/A UNL 1 O #1.7/? LEU 141 O #1.7/A UNL 1 H 2.951 2.048
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.660 3.073
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 1HD2 2.965 2.162
#1.8/? CYS 145 SG #1.8/A UNL 1 O #1.8/? CYS 145 HG 3.480 2.556
#1.9/? HIS 163 NE2 #1.9/A UNL 1 O no hydrogen 3.272 N/A
#1.9/A UNL 1 O #1.9/? GLN 189 OE1 #1.9/A UNL 1 H 2.915 2.341
#1.10/? ASN 142 ND2 #1.10/A UNL 1 O #1.10/? ASN 142 2HD2 3.100 2.185
#1.10/? GLN 189 NE2 #1.10/A UNL 1 O #1.10/? GLN 189 1HE2 3.180 2.408
#1.10/A UNL 1 O #1.10/? GLU 166 O #1.10/A UNL 1 H 3.246 2.639
#1.11/? ASN 142 ND2 #1.11/A UNL 1 O #1.11/? ASN 142 2HD2 3.122 2.204
#1.11/? HIS 163 NE2 #1.11/A UNL 1 O no hydrogen 3.313 N/A
如您所见，有些行（由模式“无氢”+一些数字 os 空格组成）不符合格式，其中最后两个数字发生了显着偏移，例如no hydrogen 3.137 N/A
由于这些元素之间的空格数可能不同，我找不到使用 sed 删除所有无用空格的简单表达式，例如
sed -e "s/no hydrogen //g"
只会匹配特定行。 你可以建议我一些可以与 sed 一起使用的正则表达式来匹配所有由“无氢”组成的行并删除未使用的空格吗？
这是预期的输出：
06I: 31 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.1/? THR 26 N #1.1/A UNL 1 O #1.1/? THR 26 H 3.515 2.716
#1.1/? ASN 142 ND2 #1.1/A UNL 1 O #1.1/? ASN 142 2HD2 3.227 2.305
#1.1/A UNL 1 N #1.1/? THR 26 O #1.1/A UNL 1 H 3.463 2.652
#1.2/A UNL 1 N #1.2/? PHE 140 O #1.2/A UNL 1 H 2.987 2.200
#1.4/? THR 26 N #1.4/A UNL 1 S #1.4/? THR 26 H 4.354 3.371
#1.4/? HIS 163 NE2 #1.4/A UNL 1 N no hydrogen 3.137 N/A
#1.4/A UNL 1 N #1.4/? ARG 188 O #1.4/A UNL 1 H 3.000 2.081
#1.5/? HIS 163 NE2 #1.5/A UNL 1 N no hydrogen 3.330 N/A
#1.5/? GLN 189 NE2 #1.5/A UNL 1 O #1.5/? GLN 189 2HE2 3.029 2.132
#1.6/A UNL 1 N #1.6/? ARG 188 O #1.6/A UNL 1 H 2.984 2.064
#1.8/? ASN 142 ND2 #1.8/A UNL 1 N #1.8/? ASN 142 2HD2 3.164 2.395
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.031 2.180
#1.8/? GLN 189 NE2 #1.8/A UNL 1 O #1.8/? GLN 189 1HE2 3.276 2.553
#1.8/A UNL 1 N #1.8/? THR 190 O #1.8/A UNL 1 H 3.257 2.407
#1.9/A UNL 1 N #1.9/? THR 190 O #1.9/A UNL 1 H 2.913 2.037
#1.10/? SER 144 OG #1.10/A UNL 1 S #1.10/? SER 144 HG 4.246 3.845
#1.10/? HIS 163 NE2 #1.10/A UNL 1 S no hydrogen 3.700 N/A
#1.10/A UNL 1 N #1.10/? THR 190 O #1.10/A UNL 1 H 3.008 2.091
#1.12/? GLN 189 NE2 #1.12/A UNL 1 O #1.12/? GLN 189 1HE2 2.929 2.152
#1.12/A UNL 1 N #1.12/? PHE 140 O #1.12/A UNL 1 H 2.912 2.012
#1.13/? ASN 142 ND2 #1.13/A UNL 1 O #1.13/? ASN 142 2HD2 3.063 2.291
#1.14/? HIS 41 NE2 #1.14/A UNL 1 S no hydrogen 3.919 N/A
#1.14/? ASN 142 ND2 #1.14/A UNL 1 O #1.14/? ASN 142 2HD2 2.802 1.872
#1.14/A UNL 1 N #1.14/? THR 190 O #1.14/A UNL 1 H 2.927 1.987
#1.16/? GLN 189 NE2 #1.16/A UNL 1 N #1.16/? GLN 189 1HE2 3.456 2.669
#1.16/? GLN 189 NE2 #1.16/A UNL 1 O #1.16/? GLN 189 1HE2 3.079 2.177
#1.16/A UNL 1 N #1.16/? THR 190 O #1.16/A UNL 1 H 2.967 1.987
#1.17/? ASN 142 ND2 #1.17/A UNL 1 N #1.17/? ASN 142 2HD2 3.218 2.294
#1.17/A UNL 1 N #1.17/? THR 190 O #1.17/A UNL 1 H 3.364 2.469
#1.18/? ASN 142 ND2 #1.18/A UNL 1 O #1.18/? ASN 142 2HD2 3.117 2.142
#1.20/? ASN 142 ND2 #1.20/A UNL 1 N #1.20/? ASN 142 2HD2 3.245 2.560
-----------------------------------------------------------------------------
structure30R: 21 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.4/? GLN 189 NE2 #1.4/A UNL 1 O #1.4/? GLN 189 1HE2 3.139 2.374
#1.5/? GLN 189 NE2 #1.5/A UNL 1 N #1.5/? GLN 189 2HE2 3.296 2.365
#1.7/? CYS 145 SG #1.7/A UNL 1 O #1.7/? CYS 145 HG 3.466 2.762
#1.7/A UNL 1 O #1.7/? LEU 141 O #1.7/A UNL 1 H 2.951 2.048
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.660 3.073
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 1HD2 2.965 2.162
#1.8/? CYS 145 SG #1.8/A UNL 1 O #1.8/? CYS 145 HG 3.480 2.556
#1.9/? HIS 163 NE2 #1.9/A UNL 1 O no hydrogen 3.272 N/A
#1.9/A UNL 1 O #1.9/? GLN 189 OE1 #1.9/A UNL 1 H 2.915 2.341
#1.10/? ASN 142 ND2 #1.10/A UNL 1 O #1.10/? ASN 142 2HD2 3.100 2.185
#1.10/? GLN 189 NE2 #1.10/A UNL 1 O #1.10/? GLN 189 1HE2 3.180 2.408
#1.10/A UNL 1 O #1.10/? GLU 166 O #1.10/A UNL 1 H 3.246 2.639
#1.11/? ASN 142 ND2 #1.11/A UNL 1 O #1.11/? ASN 142 2HD2 3.122 2.204
#1.11/? HIS 163 NE2 #1.11/A UNL 1 O no hydrogen
使用sed
$ sed 's/\(no hydrogen \{12\}\)[[:space:]]\+//' input_fie
06I: 31 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.1/? THR 26 N #1.1/A UNL 1 O #1.1/? THR 26 H 3.515 2.716
#1.1/? ASN 142 ND2 #1.1/A UNL 1 O #1.1/? ASN 142 2HD2 3.227 2.305
#1.1/A UNL 1 N #1.1/? THR 26 O #1.1/A UNL 1 H 3.463 2.652
#1.2/A UNL 1 N #1.2/? PHE 140 O #1.2/A UNL 1 H 2.987 2.200
#1.4/? THR 26 N #1.4/A UNL 1 S #1.4/? THR 26 H 4.354 3.371
#1.4/? HIS 163 NE2 #1.4/A UNL 1 N no hydrogen 3.137 N/A
#1.4/A UNL 1 N #1.4/? ARG 188 O #1.4/A UNL 1 H 3.000 2.081
#1.5/? HIS 163 NE2 #1.5/A UNL 1 N no hydrogen 3.330 N/A
#1.5/? GLN 189 NE2 #1.5/A UNL 1 O #1.5/? GLN 189 2HE2 3.029 2.132
#1.6/A UNL 1 N #1.6/? ARG 188 O #1.6/A UNL 1 H 2.984 2.064
#1.8/? ASN 142 ND2 #1.8/A UNL 1 N #1.8/? ASN 142 2HD2 3.164 2.395
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.031 2.180
#1.8/? GLN 189 NE2 #1.8/A UNL 1 O #1.8/? GLN 189 1HE2 3.276 2.553
#1.8/A UNL 1 N #1.8/? THR 190 O #1.8/A UNL 1 H 3.257 2.407
#1.9/A UNL 1 N #1.9/? THR 190 O #1.9/A UNL 1 H 2.913 2.037
#1.10/? SER 144 OG #1.10/A UNL 1 S #1.10/? SER 144 HG 4.246 3.845
#1.10/? HIS 163 NE2 #1.10/A UNL 1 S no hydrogen 3.700 N/A
#1.10/A UNL 1 N #1.10/? THR 190 O #1.10/A UNL 1 H 3.008 2.091
#1.12/? GLN 189 NE2 #1.12/A UNL 1 O #1.12/? GLN 189 1HE2 2.929 2.152
#1.12/A UNL 1 N #1.12/? PHE 140 O #1.12/A UNL 1 H 2.912 2.012
#1.13/? ASN 142 ND2 #1.13/A UNL 1 O #1.13/? ASN 142 2HD2 3.063 2.291
#1.14/? HIS 41 NE2 #1.14/A UNL 1 S no hydrogen 3.919 N/A
#1.14/? ASN 142 ND2 #1.14/A UNL 1 O #1.14/? ASN 142 2HD2 2.802 1.872
#1.14/A UNL 1 N #1.14/? THR 190 O #1.14/A UNL 1 H 2.927 1.987
#1.16/? GLN 189 NE2 #1.16/A UNL 1 N #1.16/? GLN 189 1HE2 3.456 2.669
#1.16/? GLN 189 NE2 #1.16/A UNL 1 O #1.16/? GLN 189 1HE2 3.079 2.177
#1.16/A UNL 1 N #1.16/? THR 190 O #1.16/A UNL 1 H 2.967 1.987
#1.17/? ASN 142 ND2 #1.17/A UNL 1 N #1.17/? ASN 142 2HD2 3.218 2.294
#1.17/A UNL 1 N #1.17/? THR 190 O #1.17/A UNL 1 H 3.364 2.469
#1.18/? ASN 142 ND2 #1.18/A UNL 1 O #1.18/? ASN 142 2HD2 3.117 2.142
#1.20/? ASN 142 ND2 #1.20/A UNL 1 N #1.20/? ASN 142 2HD2 3.245 2.560
-----------------------------------------------------------------------------
structure30R: 21 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
#1.4/? GLN 189 NE2 #1.4/A UNL 1 O #1.4/? GLN 189 1HE2 3.139 2.374
#1.5/? GLN 189 NE2 #1.5/A UNL 1 N #1.5/? GLN 189 2HE2 3.296 2.365
#1.7/? CYS 145 SG #1.7/A UNL 1 O #1.7/? CYS 145 HG 3.466 2.762
#1.7/A UNL 1 O #1.7/? LEU 141 O #1.7/A UNL 1 H 2.951 2.048
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 2HD2 3.660 3.073
#1.8/? ASN 142 ND2 #1.8/A UNL 1 O #1.8/? ASN 142 1HD2 2.965 2.162
#1.8/? CYS 145 SG #1.8/A UNL 1 O #1.8/? CYS 145 HG 3.480 2.556
#1.9/? HIS 163 NE2 #1.9/A UNL 1 O no hydrogen 3.272 N/A
#1.9/A UNL 1 O #1.9/? GLN 189 OE1 #1.9/A UNL 1 H 2.915 2.341
#1.10/? ASN 142 ND2 #1.10/A UNL 1 O #1.10/? ASN 142 2HD2 3.100 2.185
#1.10/? GLN 189 NE2 #1.10/A UNL 1 O #1.10/? GLN 189 1HE2 3.180 2.408
#1.10/A UNL 1 O #1.10/? GLU 166 O #1.10/A UNL 1 H 3.246 2.639
#1.11/? ASN 142 ND2 #1.11/A UNL 1 O #1.11/? ASN 142 2HD2 3.122 2.204
#1.11/? HIS 163 NE2 #1.11/A UNL 1 O no hydrogen
\(no hydrogen \{12\}\) - 在括号 (..) 内创建组匹配，具有 sed 的反向引用功能，稍后可以使用 </code> 返回。该命令也可以写成 <code>\(no hydrogen[[:space:]]\{12\}\) 以强调 space 的存在。这将包括单词 no hydrogen 后的 12 space 秒作为反向引用返回。
[[:space:]]\+ - 由于这不是小组赛的一部分，因此将被排除在外。这将匹配匹配词后所有剩余的 spaces 和我们希望保留在组匹配中的 12 spaces。