Hello,
I have a single column of data that I would like to cut/print (with awk or ...) into multiple columns at every empty row (or common character).
Input:
5.99123
5.94693
7.21383
5.95202
0.907935
5.99149
6.08427
0.975774
6.077
Output:
5.99123 5.95202 6.08427
5.94693... (7 Replies)
Hi -
I'm new to the awk programming language. I'm trying to print a single column of data to several columns, and I found an article on iTWorld.com (ITworld.com - Printing in columns). It looks like the mkCols2 script is very close to what I need to do, but it looks like the end of the code... (2 Replies)
Hi all,
I have created a script which adding two columns and removing two columns for all files.
Filename: Cust_information_1200_201010.txt
Source Data:
"1","Cust information","123","106001","street","1-203 high street"
"1","Cust information","124","105001","street","1-203 high street"
... (0 Replies)
Hi,
I am new to unix and would greatly appreciate some help.
I have a file containing multiple colums containing different sets of data e.g.
File 1:
John Ireland 27_December_69
Mary England 13_March_55
Mike France 02_June_80
I am currently using the awk... (10 Replies)
How can i break a single line into 5 lines
# joseluiz.silvano; Ramal4846; Sala4121; SetorCorregedoria host DF04488962 { hardware ethernet 00:16:41:68:57:0B; fixed-address 10.100.111.245; }
INTO
# joseluiz.silvano; Ramal4846; Sala4121; SetorCorregedoria
host DF04488962 {... (5 Replies)
I have this input:
10 22 1 100
11 22 10 1 50
14 3 1 100
23 3 1 100
24 15 1 100
10 22 5 3 1 33.333
11 22 1 100
It has an inconsistent number of fields but the last field is determined by 100/(NF-2) using awk.
I want to take this multiple columned input file and transform so that... (2 Replies)
Hi friends
please help me on below,
i have 5 files like below
file1 is
x 10
y 20
z 15
file2 is
x 100
z 245
file3 is
y 78
z 23
file4 is
x 100 (3 Replies)
I have a single line below in a file, i can have multiple also
<java.net.URL>http://server:port/abcd/MaintainRequest.do?operation=121&requestId=123456789&subrequestId=123654789</java.net.URL>
I want below to get below output
http://server:port/abcd subrequestId=123654789
I am trying... (9 Replies)
Discussion started by: mirwasim
9 Replies
LEARN ABOUT CENTOS
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)