If there is a blank line before the line "1\1\GINC-COMPUTE-1-3"", it should work.
Unfortunately, there is no blank line before the line "1\1\GINC-COMPUTE-1-3"". How can I modify this script?
Eventually, I want to get a coordinate file like this:
Code:
E101GECP
O 0 -1.794164 0.666176 0.000085
Cr 0 -0.468984 -0.491233 -0.000037
C 0 1.703974 0.296251 -0.679725
C 0 1.70395 0.296149 0.679775
H 0 2.109579 -0.541882 -1.246519
H 0 2.109538 -0.542069 1.246456
H 0 1.418343 1.180349 1.248068
H 0 1.418389 1.180538 -1.247894
H 0 -1.894474 1.62884 -0.000203
HF=-1198.5414318
\\@
Is that possible? I think it would be a tough task to do with "awk".
Please help. Thanks a lot!
ZHEN
Last edited by liuzhencc; 04-29-2010 at 11:16 PM..
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uname -a
Linux lxserv01 2.6.18-417.el5
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