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回复 cerius2
yinyuemi 发表于 2011-11-02 23:50 ![]()
awk '/Fractional coordinates of asymmetric unit :/{p=1}/------/{p++}p==3{gsub("*","");print OFS,$4,OFS,$5,OFS,$6}' file
0.913868 0.945745 0.500000
0.954887 0.158829 0.500000
0.955613 0.424480 0.500000
0.956641 0.689914 0.500000
0.999030 0.902254 0.500000
$ awk '/Fractional coordinates of asymmetric unit :/{p=1}/------/{p++}p==3{print}' file
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1 C c 0.913868 0.945745 0.500000 0.0000 1.000000
2 C c 0.954887 * 0.158829 * 0.500000 0.0000 1.000000
3 C c 0.955613 * 0.424480 * 0.500000 0.0000 1.000000
4 C c 0.956641 * 0.689914 * 0.500000 0.0000 1.000000
谢谢,基本实现目的了,不过第一行仍然是输出了一行空格,能否去掉啊?
5 C c 0.999030 * 0.902254 * 0.500000 0.0000 1.000000 |
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