Dear all,
I have to transform a bunch of files into a new format. how to do it with bash script, especially with 'awk' command.
the original data
O,0,0.2839896442,-1.1628392411,-1.5976515479
Cr,0,-0.0502858628,-0.1725974837,-0.380627632
C,0,2.4506658279,-0.476964918,0.2299298249
C,0,1.6651497007,-1.0345206931,1.1799564362
H,0,2.7611063963,-1.0380822456,-0.6461973059
H,0,1.3643870456,-2.0779397457,1.1097563185
H,0,1.4340863236,-0.5111553249,2.1054910071
H,0,2.8502644351,0.5285428858,0.3417072936
the new format like this:
O 0.2839896442 -1.1628392411 -1.5976515479
Cr -0.0502858628 -0.1725974837 -0.380627632
C 2.4506658279 -0.476964918 0.2299298249
C 1.6651497007 -1.0345206931 1.1799564362
H 2.7611063963 -1.0380822456 -0.6461973059
H 1.3643870456 -2.0779397457 1.1097563185
H 1.4340863236 -0.5111553249 2.1054910071
H 2.8502644351 0.5285428858 0.3417072936
Each column should be aligned exclusively.
Please help me. otherwise, I have to do this work by hand.
thank you in advance!
zhen