Help
Renato Freitas <renfre2002-/E1597aS9LRfJ/[email protected]> Fri, 30 Mar 2007 11:12:03 -0300 (ART)
| Newsgroups | gmane.linux.linuxquestions.wiki |
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Hi all,
I have a file of the type:
@<TRIPOS>MOLECULE
ZINC00365004
29 30 1 0 0
SMALL
GASTEIGER
Energy = 0
@<TRIPOS>ATOM
1 C1 18.6948 -17.1891 17.7207 C.ar 1 <1> -0.1540
2 C2 18.1842 -16.5466 16.6044 C.ar 1 <1> -0.0640
3 C3 18.9586 -15.6459 15.9010 C.ar 1 <1> -0.1390
@<TRIPOS>MOLECULE
ZINC00365004
29 30 1 0 0
SMALL
GASTEIGER
Energy = 0
@<TRIPOS>ATOM
1 C1 24.6614 -14.0513 23.5165 C.ar 1 <1> -0.1540
2 C2 23.5554 -14.8746 23.3804 C.ar 1 <1> -0.0640
3 C3 23.2769 -15.4765 22.1697 C.ar 1 <1> -0.1390
@<TRIPOS>MOLECULE
ZINC00365004
29 30 1 0 0
SMALL
GASTEIGER
Energy = 0
@<TRIPOS>ATOM
1 C1 25.9438 -18.4416 21.2850 C.ar 1 <1> -0.1540
2 C2 25.4544 -19.2881 20.3033 C.ar 1 <1> -0.0640
3 C3 24.8088 -18.7750 19.1962 C.ar 1 <1> -0.1390
I would like to know if there is some way to substitute the repeated words by using sed or awk:
ZINC00365004
ZINC00365004
ZINC00365004
by
ZINC00365004_1
ZINC00365004_2
ZINC00365004_3
Thanks for your help,
Renato
__________________________________________________
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Hi all,<br>I have a file of the type:<br><br> @<TRIPOS>MOLECULE<br> ZINC00365004<br> 29 30 1 0 0<br> SMALL<br> GASTEIGER<br> Energy = 0<br> @<TRIPOS>ATOM<br> 1 C1 18.6948 -17.1891 17.7207 C.ar 1 <1> -0.1540<br> 2 C2 18.1842 -16.5466 16.6044 C.ar 1 <1> -0.0640<br> 3 C3 18.9586 -15.6459 15.9010 C.ar 1 <1> -0.1390<br> @<TRIPOS>MOLECULE<br> ZINC00365004<br> 29 30 1 0 0<br> SMALL<br> GASTEIGER<br> Energy = 0<br> @<TRIPOS>ATOM<br> 1 C1 24.6614 -14.0513 23.5165 C.ar 1 <1> -0.1540<br> 2 C2 23.5554 -14.8746 23.3804 C.ar 1 <1> -0.0640<br> 3 C3 23.2769 -15.4765 22.1697 C.ar 1 <1> -0.1390<br> @<TRIPOS>MOLECULE<br> ZINC00365004<br> 29 30 1 0 0<br> SMALL<br> GASTEIGER<
br> Energy = 0<br> @<TRIPOS>ATOM<br> 1 C1 25.9438 -18.4416
21.2850 C.ar 1 <1> -0.1540<br> 2 C2 25.4544 -19.2881 20.3033 C.ar 1 <1> -0.0640<br> 3 C3 24.8088 -18.7750 19.1962 C.ar 1 <1> -0.1390<br><br>I would like to know if there is some way to substitute the repeated words by using sed or awk:<br><br> ZINC00365004<br> ZINC00365004<br> ZINC00365004<br> <br> by<br> <br> ZINC00365004_1<br> ZINC00365004_2<br> ZINC00365004_3<br><br>Thanks for your help,<br><br>Renato<br><p> __________________________________________________<br>Fale com seus amigos de graça com o novo Yahoo! Messenger <br>http://br.messenger.yahoo.com/
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