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Top Forums Shell Programming and Scripting Trying to modified files using sed command Post 302481449 by tukuyomi on Friday 17th of December 2010 02:18:13 PM
Old 12-17-2010
Code:
#!/bin/sh

for x in *gjf; do
    n=${x%.*}
    sed -i0 's/#P PM3 Opt/nproc=2\n%chk='"$n"'.chk\n#p B3LYP \/6-31G** opt/' "$x"
done

Putting "$n" out of sed script seems to do the trick Smilie
[Wont edit this] I added 0 after -i in sed command so all gjf files will be backed up as .gjf0, in case something goes wrong

Last edited by tukuyomi; 12-17-2010 at 03:25 PM.. Reason: Removed "Debug" lines
This User Gave Thanks to tukuyomi For This Post:
 

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NWBPSET(1)							      nwbpset								NWBPSET(1)

NAME
nwbpset - Create a bindery property or set its value SYNOPSIS
nwbpset [ -h ] [ -S server ] [ -U user name ] [ -P password | -n ] [ -C ] DESCRIPTION
nwbpset Reads a property specification from the standard input and creates and sets the corresponding property. The format is determined by the output of 'nwbpvalues -c'. nwbpset will hopefully become an important part of the bindery management suite of ncpfs, together with As another example, look at the following command line: nwbpvalues -t 1 -o supervisor -p user_defaults -c | sed '2s/.*/ME/'| sed '3s/.*/LOGIN_CONTROL/'| nwbpset With this command, the property user_defaults of the user object 'supervisor' is copied into the property login_control of the user object 'me'. nwbpvalues -t 1 -o me -p login_control -c | sed '9s/.*/ff/'| nwbpset This command disables the user object me. Feel free to contribute other examples! nwbpset looks up the file $HOME/.nwclient to find a file server, a user name and possibly a password. See nwclient(5) for more information. Please note that the access permissions of $HOME/.nwclient MUST be 600 for security reasons. OPTIONS
-h -h is used to print out a short help text. -S server server is the name of the server you want to use. -U user user is the user name to use for login. -P password password is the password to use for login. If neither -n nor -P are given, and the user has no open connection to the server, nwbpset prompts for a password. -n -n should be given if no password is required for the login. -C By default, passwords are converted to uppercase before they are sent to the server, because most servers require this. You can turn off this conversion by -C. AUTHORS
nwbpset was written by Volker Lendecke. See the Changes file of ncpfs for other contributors. nwbpset 8/7/1996 NWBPSET(1)
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