Hi Team,
I am currently in the process of writing a script which will take a filename in the format
SKADEV.0.db2.NODE0000.CATN0000.20080714231015.001
where the sixth string(with "." as the seperator) is the time stamp of the time of creation of the file.
now here is my issue .
I need to be... (2 Replies)
Hello,
I have two files file1 & file2 containing both lines (1 word per line). I need to extract the lines that are in file1 and not present in file2 and have the result in output file.
i.e :
user>cat file1
line1
line2
line3
line4
line5
user>cat file2
line1
line3
line5
The... (2 Replies)
file A
E969K
D223L
E400L
E34L
file B
predicted 3
1 250
251 500
501 1000
The output should be
E969K 501 1000
D223L 1 250
E400L 251 500
E34L 1 250
I tried in this way (1 Reply)
Hey there,
I just stumbled upon a difference between using awk on the commandline and using it in a shellscript.
I have a variable, e.g.: PROG=vim
then i want to check if the package with this name is installed: TEMPVAL=$(dpkg -l | awk '{ if ($2 == "$PROG") print $2 }') (Im using... (10 Replies)
I am having two csv files i need to compare these files and the output file should have the information of the differences at the field level.
For Example,
File 1:
A,B,C,D,E,F
1,2,3,4,5,6
File 2:
A,C,B,D,E,F
1,2,4,5,5,6
out put file: (12 Replies)
Need awk solution. Please advise.
inputfile.txt
1,NY, 1111
2,MI, 222
3,NY,333
4,OH,444
5,OH,555
mapping.txt
NY NYNY
IL ILLINOIS
OH OHIO
Need to write a code which will compare 2nd column of inputfile.txt with mapping file and redirect output based on the... (2 Replies)
Hi..I have the data in a file like in this format, and I need the output time difference in seconds by using awk command. Start date/time and end date/time given in column 2,3 & 4,5. Please assist how to write shell script.
File1.txt
JOB1 10/09/2013 17:42:16 10/09/2013 17:43:46 SU 6202685/1... (4 Replies)
Hi,
I'm trying to write a script to determine the time gap between HTTP PUT and HTTP DELETE requests in the HTTP Servers access log.
Normally client will do HTTP PUT to push content e.g. file_1.txt and 21 seconds later it will do HTTP DELETE, but sometimes the time varies causing some issues... (3 Replies)
In the awk I am trying to subtract the difference $3-$2 of each matching $4 before the first _ (underscore) and print that value in $13.
I think the awk will do that, but added comments. What I am not sure off is how to add a line or lines that will add sum each matching $13 value and put it in... (2 Replies)
I create a CGI in bash/html.
My awk script looks like :
echo "<table>"
for fn in /var/www/cgi-bin/LPAR_MAP/*;
do
echo "<td>"
echo "<PRE>"
awk -F',|;' -v test="$test" '
NR==1 {
split(FILENAME ,a,"");
}
$0 ~ test {
if(!header++){
... (12 Replies)
Discussion started by: Tim2424
12 Replies
LEARN ABOUT DEBIAN
autogrid4
AUTOGRID(1) General Commands Manual AUTOGRID(1)NAME
autogrid - preparing protein and ligand for AutoDock analysis
SYNOPSIS
autogrid4 [options] -p gridparameterfile
DESCRIPTION
AutoGrid prepares a 3D grid representation of the non-covalent interaction energies that various user-specified ligand atom types will
experience around a user-specified target macromolecule. In addition, the electrostatic potential and desolvation free energy grid maps
may also be calculated. The grid maps are stored in plain text files with the extension '.map' and are required by AutoDock 4 to perform
dockings. AutoGrid also outputs a '.xyz' file which describes the spatial extents of the grid box, and an AVS field '.fld' file which
describes the consistent set of atomic affinity grid maps that were calculated together for a given target macromolecule. Note: it is nec-
essary to compute grid maps for all the atom types in the ligand or set of ligands that will be docked, as well as an electrostatic poten-
tial grid map and a desolvation free energy map. For example, if a ligand has an aliphatic carbon and a hydrogen-bond-accepting oxygen
atom, it would be necessary to compute both a 'C' map and an 'OA' map. See http://autodock.scripps.edu/faqs-help/faq/where-do-i-set-the-
autodock-4-force-field-parameters for more information about AutoDock 4 atom types.
The input to AutoGrid is best prepared with the program suite AutoDockTools. There is no way to run autodock4 without a grid.
OPTIONS -o Use old PDBq format (q in columns 55-61)
-u Usage information, also -h on Debian.
-d Increased verbosity of messages to help debugging.
-l logfile
-p filename Specifies Grid Parameter File
EXAMPLE
A range of tests is made available with the AutoGrid sources that can be used as follows:
$ D=/usr/share/doc/autogrid/Tests
$ cd /tmp
$ ln -s $D/AD4_parameters.dat .
$ gunzip -c $D/hsg1_sm.pdbqt.gz > hsg1_sm.pdbqt
$ autogrid4 -p $D/hsg1_no_receptor_types.gpf -l hsg1_no_receptor_types.glg
This command prepares grid map files for each of the AutoDock atom types specified in the grid parameter file (in this case: hsg1_sm.A.map,
hsg1_sm.C.map, hsg1_sm.d.map, hsg1_sm.e.map, hsg1_sm.HD.map, hsg1_sm.NA.map, hsg1_sm.N.map, hsg1_sm.OA.map), the AVS field file
(hsg1_sm.maps.fld) and hsg1_sm.maps.xyz. To perform the cocking calculation, AutoDock should be executed, though it demands a separate
docking parameter file (with extension .dpf). The 'DPF' refers to the grid map files that are necessary to the docking and allows the
setting of other important parameters, such as the search method and how many dockings to perform.
SEE ALSO autodock(1), runAdt(1).
http://autodock.scripps.edu
LICENSE
This software is made available under the terms of the GNU Public License version 2 or later. This implies that this software may be
redistributed if the source is made available. It would however help the future development of the AutoDockSuite if you register yourself
at http://autodock.scripps.edu/downloads.
AUTHOR
The most prominent author of the version 4 of AutoDock is G. Morris <garrett@scripps.edu>. See the AUTHORS file in /usr/share/doc/autogrid
for details.
This manual page was written by Steffen Moeller <moeller@debian.org> and much revised by upstream author Garrett Morris. It was prepared
for the Debian project but may be used by others and is hopefully adopted by the upstream developers.
Juli 23, 2007 AUTOGRID(1)