My code below is supposed to find which company had the most business and then print the appropriate fields from another file which are the companies ID number and name. I can loop through awk and display all the total amount of business for each company but I need help in only printing out the... (1 Reply)
Hi,
I have this input file called ttbitnres (which is catenated and sorted):-
8 0.4444 213
10 0.5555 342
11 0.5555 321
12 0.5555 231
13 0.4444 400
My code is at :-
#!/bin/bash
echo -e Version "\t" Number of Pass "\t" Number of Fail "\t" Rank Position "\t"Min "\t" Max... (1 Reply)
I am reading a cpp file thru shell script . There are many fuctions inside the cpp file
eg
pvvd_fncn_name1
{
..... something
}
pvvd_fncn_name2
{
..... something
}
what I require is a method to find the first opening brace and the coresponding last brace and search... (2 Replies)
Hi, i have a file with numbers in it and i was wondering if there's a script i could use to find the max number and have that printed to a new file?
example a.txt
18
26
47
34
27
so find the max number in a.txt and print it to b.txt.
Thanks! (17 Replies)
Hi Folks.Just out of interest does anyone know if their is a maximum number of variables that korn shell supports and if so how do I query what it is?Cheers (1 Reply)
Hi, I would just like to know how to get the file with the max filename on a directory and get rid of all the others. For example, in directory A:/ i have the ff files:
APPLE2001
APPLE2002
APPLE2003
GRAPE2004
what I want to get is the max in files whose filenames start with APPLE*,... (4 Replies)
Hi
I have a list of 2000 records with multiple entries and I want to get the max size for each entry
ABC 1
ABC 2
ABC 3
ABC 4
DEF 1
DEF 2
DEF 2
DEF 2
DEF 2
... (9 Replies)
Hi,
I have the below text:
16:00 0.50
16:00 0.30
16:00 0.00
16:00 0.00
16:00 0.30
16:01 0.00
16:01 0.30
I want to find the max of the 2nd column grouping by the values in the 1st column using awk. So
16:00 0.50
16:01 0.30
I have tried (3 Replies)
Discussion started by: satishrao
3 Replies
LEARN ABOUT DEBIAN
g_anadock
g_anadock(1) GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c g_anadock(1)NAME
g_anadock - cluster structures from Autodock runs
VERSION 4.5.4-dev-20110404-bc5695c
SYNOPSIS
g_anadock -f eiwit.pdb -ox cluster.pdb -od edocked.xvg -of efree.xvg -g anadock.log -[no]h -[no]version -nice int -xvg enum -[no]free
-[no]rms -cutoff real
DESCRIPTION
g_anadock analyses the results of an Autodock run and clusters the structures together, based on distance or RMSD. The docked energy and
free energy estimates are analysed, and for each cluster the energy statistics are printed.
An alternative approach to this is to cluster the structures first using g_cluster and then sort the clusters on either lowest energy or
average energy.
FILES -f eiwit.pdb Input
Protein data bank file
-ox cluster.pdb Output
Protein data bank file
-od edocked.xvg Output
xvgr/xmgr file
-of efree.xvg Output
xvgr/xmgr file
-g anadock.log Output
Log file
OTHER OPTIONS
-[no]hno
Print help info and quit
-[no]versionno
Print version info and quit
-nice int 0
Set the nicelevel
-xvg enum xmgrace
xvg plot formatting: xmgrace, xmgr or none
-[no]freeno
Use Free energy estimate from autodock for sorting the classes
-[no]rmsyes
Cluster on RMS or distance
-cutoff real 0.2
Maximum RMSD/distance for belonging to the same cluster
SEE ALSO gromacs(7)
More information about GROMACS is available at <http://www.gromacs.org/>.
Mon 4 Apr 2011 g_anadock(1)