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检查“块”是否具有独特的模式

tag-icon • tag-icon command-line text-processing awk
检查“块”是否具有独特的模式

我有一个包含多个“块”（此例中为三个块）的文件，如下所示：

A4_RAT  Amyloid-beta A4 protein;    P08592  PDB; 1M7E; X-ray; 2.45 A; D/E/F=755-763.
                                    PDB; 1NMJ; NMR; -; A=672-699.
                                    PDB; 1OQN_I3P.pdb; X-ray; 2.30 A; C/D=755-763.
                                    PDB; 2LI9; NMR; -; A/B=672-687.

AACP_AGRFC  Aminoacyl carrier protein;  A9CHM9          PDB; 2JQ4; NMR; -; A=1-83.
                                    PDB; 4H2W_5GP.pdb; X-ray; 1.95 A; C/D=1-83.
                                    PDB; 4H2X_G5A.pdb; X-ray; 2.15 A; C/D=1-83.
                                    PDB; 4H2Y; X-ray; 2.10 A; C/D=1-83.

AADB1_KLEPN 2''-aminoglycoside nucleotidyltransferase;  P0AE05  PDB; 4WQK; X-ray; 1.48 A; A=1-177.
                                    PDB; 4WQL; X-ray; 1.73 A; A=1-177.
                                    PDB; 5KQJ_GOL.pdb; NMR; -; A=1-177.

每个“块”都有PDB;、XXXX/XXXX_XXX.pdb;、Xray/NMR;列。从上一句的最后两列（XXXX;或XXXX_XXX.pdb;和X-ray; or NMR;）中，我在每个块中遇到了几个选项：

XXXX; X-ray;
XXXX_XXX.pdb; X-ray;
XXXX; NMR;
XXXX_XXX.pdb; NMR;

我正在尝试仅搜索仅具有 的那些“块”，XXXX_XXX.pdb; X-ray;并且仅搜索仅具有 的那些“块” XXXX_XXX.pdb; NMR;。

从这里的例子来看，如果我搜索那些只有XXXX_XXX.pdb; X-ray;我期望结果是：

A4_RAT  Amyloid-beta A4 protein;    P08592  PDB; 1M7E; X-ray; 2.45 A; D/E/F=755-763.
                                    PDB; 1NMJ; NMR; -; A=672-699.
                                    PDB; 1OQN_I3P.pdb; X-ray; 2.30 A; C/D=755-763.
                                    PDB; 2LI9; NMR; -; A/B=672-687.

AACP_AGRFC  Aminoacyl carrier protein;  A9CHM9          PDB; 2JQ4; NMR; -; A=1-83.
                                    PDB; 4H2W_5GP.pdb; X-ray; 1.95 A; C/D=1-83.
                                    PDB; 4H2X_G5A.pdb; X-ray; 2.15 A; C/D=1-83.
                                    PDB; 4H2Y; X-ray; 2.10 A; C/D=1-83.

另一方面，如果我搜索那些只有XXXX_XXX.pdb; NMR;我期望结果是：

AADB1_KLEPN 2''-aminoglycoside nucleotidyltransferase;  P0AE05  PDB; 4WQK; X-ray; 1.48 A; A=1-177.
                                    PDB; 4WQL; X-ray; 1.73 A; A=1-177.
                                    PDB; 5KQJ_GOL.pdb; NMR; -; A=1-177.

有人知道如何在 bash 中做到这一点吗？

答案1

假设如您在问题中所示，每个块之间都有空行，因此：

$ awk -v RS='\n\n' '/...._...\.pdb; NMR;/' RS= infile
AADB1_KLEPN 2''-aminoglycoside nucleotidyltransferase;  P0AE05  PDB; 4WQK; X-ray; 1.48 A; A=1-177.
                                    PDB; 4WQL; X-ray; 1.73 A; A=1-177.
                                    PDB; 5KQJ_GOL.pdb; NMR; -; A=1-177.

$ awk -v RS='\n\n' '/...._...\.pdb; X-ray;/' RS= infile
A4_RAT  Amyloid-beta A4 protein;    P08592  PDB; 1M7E; X-ray; 2.45 A; D/E/F=755-763.
                                    PDB; 1NMJ; NMR; -; A=672-699.
                                    PDB; 1OQN_I3P.pdb; X-ray; 2.30 A; C/D=755-763.
                                    PDB; 2LI9; NMR; -; A/B=672-687.
AACP_AGRFC  Aminoacyl carrier protein;  A9CHM9          PDB; 2JQ4; NMR; -; A=1-83.
                                    PDB; 4H2W_5GP.pdb; X-ray; 1.95 A; C/D=1-83.
                                    PDB; 4H2X_G5A.pdb; X-ray; 2.15 A; C/D=1-83.
                                    PDB; 4H2Y; X-ray; 2.10 A; C/D=1-83.

要保留空行，请删除RS=并添加语句{print $0"\n"}：

$ awk -v RS='\n\n' '/...._...\.pdb; NMR;/{print $0"\n"}' infile
$ awk -v RS='\n\n' '/...._...\.pdb; X-ray;/{print $0"\n"}' infile

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