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本帖最后由 xiaopan3322 于 2011-05-22 21:51 编辑
回复 8# wcszbd2008
哎……郁闷……
1. 你有一个XX.out文件,内容如下(因为你没贴全,姑且算是我猜的):
xiabao@6P9SN2X ~/test/tmp
$ cat XX.out
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 1.945477 0.858466 0.089902
2 66 0 0.490002 -0.115768 -0.054711
3 6 0 -1.197777 -0.096690 0.735495
4 8 0 -3.699185 0.288008 -0.214964
5 7 0 -2.615354 0.131372 -0.118704
---------------------------------------------------------------------
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
3 1 0 1.945477 0.858466 0.089902
4 76 0 0.490002 -0.115768 -0.054711
5 2 0 -1.197777 -0.096690 0.735495
6 3 0 -3.699185 0.288008 -0.214964
7 4 0 -2.615354 0.131372 -0.118704
---------------------------------------------------------------------
2. 你想把坐标(也就是后面5列)分别输出到以Center Number为序号的文件中(在这里就是1,2,3,4,5,6,7)
3. 运行如下代码:- awk '$1~/[0-9]/{print $2,$3,$4,$5,$6 >> $1}' XX.out
复制代码 4. 得到如下文件:- $ ls
- 1 2 3 4 5 6 7 XX.out
复制代码 5. 查看文件1,2,3,4,5,6,7:- xiabao@6P9SN2X ~/test/tmp
- $ cat 1
- 6 0 1.945477 0.858466 0.089902
- xiabao@6P9SN2X ~/test/tmp
- $ cat 2
- 66 0 0.490002 -0.115768 -0.054711
- xiabao@6P9SN2X ~/test/tmp
- $ cat 3
- 6 0 -1.197777 -0.096690 0.735495
- 1 0 1.945477 0.858466 0.089902
- xiabao@6P9SN2X ~/test/tmp
- $ cat 4
- 8 0 -3.699185 0.288008 -0.214964
- 76 0 0.490002 -0.115768 -0.054711
- xiabao@6P9SN2X ~/test/tmp
- $ cat 5
- 7 0 -2.615354 0.131372 -0.118704
- 2 0 -1.197777 -0.096690 0.735495
- xiabao@6P9SN2X ~/test/tmp
- $ cat 6
- 3 0 -3.699185 0.288008 -0.214964
- xiabao@6P9SN2X ~/test/tmp
- $ cat 7
- 4 0 -2.615354 0.131372 -0.118704
复制代码 我不知道你还有哪里不明白???!!! |
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