Hi power user,
I have this type of data (distance list):
file1
A B 10
B C 20
C D 50I want output like this
# A B C D
A 0 10 30 80
B 10 0 20 70
C 30 20 0 50
D 80 70 50 0 Which is a distance matrix
I have tried... (0 Replies)
Hi folks,
Here i have written a shell script to calculate a maximum number from 10 numbers entered on command line.
max=0
echo Enter 10 numbers , one at a time
for i in 1 2 3 4 5 6 7 8 9 10
do
read n
max=`expr $max + $n`
if --- At this last step there is some problem, it gives error... (5 Replies)
Hi:)
I have two separate data files (.xyz) type and I want to see distances between the coordinates of atoms of the two files. For example:-
My first files contains
1 1 1 11.50910000 5.17730000 16.49360000
3 1 2 11.21790000 6.36062000 15.60660000
6 1 2 ... (4 Replies)
Hi all,
I have a data file like this
lat lon lat lon
12.000 25.125 14.235 25.012
14.200 81.000 25.584 25.014
45.023 25.365 25.152 35.222
I want to calculate distance and azimuth between this points
eg:- 12.000,25.125 and 14.235,25.012
I want to use awk programming... (3 Replies)
Hi,
I'm trying to generate a distance matrix between sample pairs for use in a tree-drawing program (example below). The example below demonstrates what I'd like to get out of the data - essentially, to calculate the proportion of positions where two samples differ.
Any help much appreciated!... (1 Reply)
Hello,
I'm trying to create a shell script (#!/bin/sh) which should tell me the age of a file in minutes...
I have a process, which delivers me all 15 minutes a new file and I want to have a monitoring script, which sends me an email, if the present file is older than 20 minutes.
To do... (10 Replies)
Hi I have
the file has some formulas how to create a program (per, ksh, awk) which calculate the operation and put the result on other file
example
data of source file - this has separate by ";"... (5 Replies)
Hi,
I have a file as
ABC 1634230,1634284,1634349,1634468 1634272,1634301,1634356,1634534
What I want is to find distance between the numbers.. column 1 is the gene name and column 2 are starts and column 3 are their respective stops for the starts. So what I want is column 3 which has +1... (2 Replies)
Gents,
Please i will to get the distance and azimut from 2 coordinates:
Usig excel formula i get the correct values, but i will like to do it using awk.
Example
A 35089.0 50345.016 9 75 1 2101774 77 70 79 483911.6 2380106.9 137.4 1 1 6 1
A 35089.0 50345.01620 75... (8 Replies)
Discussion started by: jiam912
8 Replies
LEARN ABOUT DEBIAN
g_dist
g_dist(1) GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c g_dist(1)NAME
g_dist - calculates the distances between the centers of mass of two groups
VERSION 4.5.4-dev-20110404-bc5695c
SYNOPSIS
g_dist -f traj.xtc -s topol.tpr -n index.ndx -o dist.xvg -lt lifetime.xvg -[no]h -[no]version -nice int -b time -e time -dt time -xvg enum
-dist real
DESCRIPTION
g_dist can calculate the distance between the centers of mass of two groups of atoms as a function of time. The total distance and its
x-, y-, and z-components are plotted.
Or when -dist is set, print all the atoms in group 2 that are closer than a certain distance to the center of mass of group 1.
With options -lt and -dist the number of contacts of all atoms in group 2 that are closer than a certain distance to the center of mass
of group 1 are plotted as a function of the time that the contact was continuously present.
Other programs that calculate distances are g_mindist and g_bond.
FILES -f traj.xtc Input
Trajectory: xtc trr trj gro g96 pdb cpt
-s topol.tpr Input
Run input file: tpr tpb tpa
-n index.ndx Input, Opt.
Index file
-o dist.xvg Output, Opt.
xvgr/xmgr file
-lt lifetime.xvg Output, Opt.
xvgr/xmgr file
OTHER OPTIONS
-[no]hno
Print help info and quit
-[no]versionno
Print version info and quit
-nice int 19
Set the nicelevel
-b time 0
First frame (ps) to read from trajectory
-e time 0
Last frame (ps) to read from trajectory
-dt time 0
Only use frame when t MOD dt = first time (ps)
-xvg enum xmgrace
xvg plot formatting: xmgrace, xmgr or none
-dist real 0
Print all atoms in group 2 closer than dist to the center of mass of group 1
SEE ALSO gromacs(7)
More information about GROMACS is available at <http://www.gromacs.org/>.
Mon 4 Apr 2011 g_dist(1)