How to replace many numbers with one number in a file.
Many numbers like 444565,454678,443298,etc. i want to replace these with one number (300).Please halp me out. (2 Replies)
divide input values into specified number (-100 or -200) according to the key (a1 or a2 ....)
For ex: if we give -100 in the command line it would create 100 number intervals (1-100, 100-200, 200-300) untill it covers the value 300 in a1.
Note: It should work the same even with huge numbers... (3 Replies)
Hello All,
I am having problem to find what is the smallest number from 90% of highest numbers from all numbers in file. I am having file with thousands of lines and hundreds of columns.
I am familiar mainly with bash but I am open to whatever suggestion witch will lead to the solutions.
If I... (11 Replies)
out of a range of numbers, how can i pick out the number that is the closest to any arbitrary/random number that a user supplies?
say the range of numbers are between 1 - 90000. but that doesn't mean each number exist between 1 - 90000. the range of numbers could be for example:
1, 3, 4, 6,... (6 Replies)
I would like to print the number of records of 2 files, and divide the two numbers
awk '{print NR}' file1 > output1
awk '{print NR}' file2 > output2
paste output1 output2 > output
awl '{print $1/$2}' output > output_2
is there a faster way? (8 Replies)
Hi, I have a list.txt file with number ranges and want to print/save new all.txt file with all the numbers and between the numbers.
== list.txt ==
65936
65938
65942 && 65943
65945 ... (7 Replies)
I am using a small script to divide some numbers in a given file and display the output in another file. I am getting the following error
basename: invalid option -- '5'
Try `basename --help' for more information.
(standard_in) 1: syntax error
The script is :
#!/bin/bash
for i in `cat... (4 Replies)
I basically need to do what the title says.
I have my text file.
I'm still pretty new at this.
At the moment I know that:
1. wc -l file.txt
To get the number of lines.
2. ls -lh file.txt
To get the file size.
But I need to divide both numbers. Then I need to save the output in a... (7 Replies)
Hello to everyone,
I have this complex problem and I don't how to do it. I'm not sure if awk could be a good choice to do it or could be easiest in bash or perl.
A kind of introduction would be:
- I have a digit, lets say 3.
- I can expand/spread out the digit 3 to cover all possible... (7 Replies)
Dear ALL,
I have sample file :
tx_bytes: 2422,
tx_packets: 13,
uptime: 16119,
tx_bytes: 2342,
tx_packets: 14,
uptime: 11009,
tx_bytes: 252,
tx_packets: 12,
uptime: 3113,
my formula :
minutes=$(( uptime/60%60 ))
hours=$(( uptime/60/60%24 )) (3 Replies)
Discussion started by: gnulyn
3 Replies
LEARN ABOUT DEBIAN
geom
geom(1)geom(1)NAME
geom - analyzes a molecular geometry input in Cartesian coordinates.
DESCRIPTION
The program geom reads a set of Cartesian coordinates and determines from them the bond distances (Bohr and angstrom), bond angles, tor-
sional angles, out-of-plane angles (optional), moments of inertia, and rotational constants.
FILES REQUIRED
input.dat - Input file
and one of the following:
geom.dat - geometry file
file11.dat - PSI-format geometry/gradient file
FILES GENERATED
geom.out - file containing the analysis
INPUT OPTIONS
The geom program has the following options:
-h Print help information (these options).
-aces [filename]
Read the input in an ACES output format, with each line consisting of atomic symbol, atomic number, and Cartesian coordinates (in
Bohr). The optional argument is the name of the geometry input file, which defaults to geom.dat.
-qchem [filename]
Read the input in an QCHEM output format, with each line consisting of the atom number, the atomic symbol, and Cartesian coordinates
(in Angstroms). The optional argument is the name of the geometry input file, which defaults to geom.dat.
-xyz [filename]
Read the input in an XYZ output format. The first line contains the number of atoms and the second line is a comment line. Subse-
quent lines each contain the atomic symbol and Cartesian X Y and Z coordinates (in Angstroms). The optional argument is the name of
the geometry input file, which defaults to geom.dat.
-oop Print out-of-plane angles, where the angle a-b-c-d is defined as the angle formed by the vector a-d and the plane defined by atoms
b, c, and d.
DO_OOP = boolean
Same as command-line switch -oop described above.
ISOTOPES = matrix of reals/strings
Used to specify masses to be used in the calculation of the center of mass and rotational constants. One array is provided for each
isotopomer to be calculated. The arrays can mix floating point numbers with strings which designate isotopes. If this array is not
given and file11.dat is present, then the masses will be obtained by converting the atomic numbers in file11. If masses are not
given by ISOTOPES or by file11, then no mass-related quantities will be calculated.
-g [filename]
Read Cartesian coordinates from a file other than file11.dat. If a filename is not given, the default is geom.dat. The alternative
file is assumed to be in a format similar to that of PSI's geom.dat. Since such files do not contain atomic numbers, the moments of
inertia and rotational constants are not calculated if this option is used.
READ_GEOM = boolean
This option in input.dat tells geom to read the geometry from geom.dat in the PSI geom.dat format.
-a Print parameters for all pair distances.
PRINT_ALL_DIST = boolean
Same as -a flag described above.
-d distance
Only print parameters involving pairs of atoms which are less than distance bohr apart (default value is 4.0 bohr).
PRINT_DISTANCE = value
Same as -d flag described above.
-angstrom
The input coordinates are in angstroms, not bohr.
ANGSTROM = boolean
If TRUE, the input coordinates are in angstroms instead of bohr. The default is FALSE.
The following example is for calculating the geometrical information for water with several different isotopes. The geometry is
read from geom.dat rather than from file11.dat.
geom: (
read_geom = true
isotopes = (
(O H H)
(O D D)
(O18 1.007825 1.007825)
) )
5 June, 1998 geom(1)