Hi...
I am quite new to Unix and would like an issue to be resolved.
I have a file in the format below;
4,Reclaim,ECXTEST02,abc123,Harry Potter,5432 6730 0327 5469,0603,,MC,,1200,EUR,sho-001,,1,,,abc123,1223
I would like my output to be as follows;
4,Reclaim,ECXTEST02,abc123,Harry... (4 Replies)
Hey ,
I have a file and it's having spaces for some of the fields in it. Like the one below. I want to remove the spaces in them through out the file. The spaces occur randomly and i can't say which field is having space. So please help. Here is sample file with spaces after 5th field. (3 Replies)
Hi,
I need a help in deleting extra spaces in a text.
I have a huge file, a part of it is :-
3 09/21/08 03:32:07 started undef mino Oracle nmx004.wwdc.numonyx.com Message Text : The Oracle session with the PID 1103 has a CPU time ... (6 Replies)
Hi,
I have a string like this and i want to remove extra spaces that exists between the words.
Here is the sentence.
$string="The small DNA genome of hepadnaviruses is replicated by reverse transcription via an RNA intermediate. This RNA "pregenome" contains ... (2 Replies)
Hi Friends,
I have large volume of data file as shown below.
Beganing or end of each filed, there are some blank spaces.
How do I remove those spaces?
AAA AAA1 | BBB BB1 BB2 |CC CCCC
DDDD DD | EEEEEEE EEEEEEEE | FFF FFFFFF FFFF
GG GGGGGG |HH HH ... (3 Replies)
HI,
I need the help from the experts like I have created one file with text like:
a b c d
e f g h
i j k l
So my question is that i have to write the script in which like in the first sentence it will take only one space after d and remove all the extra space in the end.I dont... (8 Replies)
hi,
i need to remove the extra spaces in the 2nd field.
Sample:
abc|bd |bkd123 .. 1space
abc|badf |bakdsf123 .. 2space
abc|bqe |bakuowe .. 3space
Output:
abc|bd|bkd123
abc|badf|bakdsf123
abc|bqe|bakuowe
i used the following command, (9 Replies)
I have a file of about 10k records and eace line is having an extra space of 5 byte at the end.. Iwant to remove the extra spaces at the end of each line.. Can someone please help me out.. I tried using sed command and its not working... can someone please help me out. (3 Replies)
Hi,
I want to remove all extra spaces, line breaks .
Need a new line entry only for term starting"array"
For eg: my input is
array(),
array(),
array(),
and my expected output is
array(),
array(),
array(),
Is it possible using awk? (5 Replies)
Hello,
I have an xml file and my aim is to grab each line in keywords file and search the string in another file.
When keyword is found in xml file,I expect the script to go to previous line in the xml file and grab the string/value between two strings. It's almost working with an error.
tab... (6 Replies)
Discussion started by: baris35
6 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