Hi all
Wonder if you can help , I have a comma delimited file where the 13th to the 31st character of each line is populated by the date and time."2004-07-21 09:39:06"
16-5-141551,2004-07-21 09:39:06,8815
22-5-340394,2004-07-22 09:39:41,8001
22-5-340433,2004-07-23 09:42:20,1701
I have... (3 Replies)
$ cat log.txt
Name Age Sex Lcation nfld alias xsd
CC 25 M XYZ asx KK Y
BB 21 F XAS awe SS N
SD 21 M AQW rty SD A
How can I replace the column with header "Lcation" with the column with header "alias" and delete the "alias" column?
so that the final output will become:
Name Age Sex... (10 Replies)
dear all,
I'm trying to use Awk to eliminate the last two characters from the first column in a file. This two characters are "-1" and I need to eliminate them from each row that I have in the files. The files have two columns and look like:
ID_090-1 2
ID_3787-1 4
ID_0098-1 1
ID_12-1 4
I... (4 Replies)
Hi,
I need some unix command to replace the following thing.
cat test.dat
1234|test|8/19/2009|8/20/2009|test
1234|test|8/9/2009|8/21/2009|test
1234|test|8/1/2009|8/2/2009|test
after processing
1234|test|08/19/2009|08/20/2009|test
1234|test|08/09/2009|08/21/2009|test... (6 Replies)
Hi
cat test.txt
H|123|341|567|asfg
D|dfg|trtyy|errt
D|ert|frty|wer
Here I need to replace the third column value with 100 of the first record only and while printing I need to print the full file content also..I am expecting a result like this
H|123|100|567|asfg
D|dfg|trtyy|errt... (3 Replies)
i have a file in the gz format , the content of the file is as follow.
gzcat f1.gz
# 1.name
# 2.location
# 3.age
# 4.dob
.
.
.
.
.
.
.
.
.
# 43.hobbies
< Aravind,33,chennai,09091980, , , , , , , surfing> (5 Replies)
I'm trying to make an awk script to compare values I've set as var1, var2, and var3 earlier in the script to the values in the userinputted column of four text files called Node1.txt, Node2.txt, Node3.txt, and Node4.txt and then replace the values in that userinputted column with either ttt or gcc,... (8 Replies)
hi i have sample data
a,b,c,d,e,g h http://mysite.xyx
z,b,d,f,e,s t http://123124#
a,b,c,i,m,nothing
d,i,j,e,w,nothing
output expected is
a,b,c,d,e,http://mysite.xyx
z,b,d,f,e,http://123124#
a,b,c,i,m,nothing
d,i,j,e,w,nothing
i can get only links using grep -o 'http.*'
i... (8 Replies)
Hi All,
I need to extract a position in the file and multiple the value by 1000 and the replace it .
Original
0010001200084701217637306521200000000000010010000000 ---> 000847 * 1000
0010012700086001213437404323000000000000001001000000 ---> 000860 * 1000... (2 Replies)
Hello.
A find command return a list of file.
For each fileReplace the content starting with the first "§" (of two) ending with last "ɸ" (of two), regardless of the content ( five lines )
by the following content (exactly) :
§2019_08_23§ #
# ... (8 Replies)
Discussion started by: jcdole
8 Replies
LEARN ABOUT DEBIAN
obprobe
obprobe(1) User's Reference Manual obprobe(1)NAME
obprobe -- create electrostatic probe grid
SYNOPSIS
obprobe [OPTIONS] type pchg filename
DESCRIPTION
The obprobe tool creates a grid around a molecule, placing a probe atom with a specified atom type and partial charge at each point to calcu-
late the MMFF94 energy. This can be used for docking experiments to test hydrogen-bond affinity, electrostatic potential, etc. Output is
sent to standard output using the Gaussian Cube format.
OPTIONS
If no filename is given, obprobe will give all options including the example probes.
-s stepsize
Set the resolution of the grid (stepsize)
-p padding
Set the padding -- extra distance on each side of the box formed by the molecule.
type MMFF94 atom type
pchg MMFF94 partial charge
EXAMPLES
Probe the file pyridines.sdf using a carbonyl oxygen -- a hydrogen bond acceptor with partial charge -0.57:
obprobe 7 -0.57 pyridines.sdf
Probe the file pyridines.sdf using a phenyl carbon atom -- a hydrophobic atom with no partial charge:
obprobe 37 0.0 pyridines.sdf
SEE ALSO babel(1).
The web pages for Open Babel can be found at: <http://openbabel.org/>
AUTHORS
The obprobe program was contributed by Tim Vandermeersch.
Open Babel is developed by a cast of many, including currrent maintainers Geoff Hutchison, Chris Morley, Michael Banck, and innumerable oth-
ers who have contributed fixes and additions. For more contributors to Open Babel, see <http://openbabel.org/wiki/THANKS>
COPYRIGHT
Copyright (C) 2006-2008 by Tim Vandermeersch
Some portions Copyright (C) 2004-2008 by Geoffrey R. Hutchison and other contributors.
This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by
the Free Software Foundation version 2 of the License.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABIL-
ITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
Open Babel 2.2 July 4, 2008 Open Babel 2.2