Hi, I would like to paste multiple files together into one large file.
I have 23 of them and I would like to link them on a common variable without writing all the file names out (like in a simple join). Each has about 28,000 columns, but only 17 rows.
So the final product would be a single file... (2 Replies)
Hey guys
I have got a tab-separated file and I want to copy only selected records from two columns at a time satisfying specified condition, and create a new file.
My tab separated file is like this
ID score ID score ID Score ID score ID score
1_11 0.80 2_23 0.74 2.36 0.78 2_34 0.75
A_34... (9 Replies)
hey,
I have more a structural problem. I have two input files:
1.inp:
1 2 3 a b c
2 3 4 d f g
and the 2.inp
6 6 6
7 7 7
8 8 8
The goal is to get as much output files (with a name 1_2_3.dat) as lines in 1.inp are like this:
6 6 6 a
7 7 7 b
8 8 8 c (5 Replies)
i have two files with contents
file a
1234,abcf
2345,drft
4444,befr
file b
tom,3
sam,5
dog,7
i want to print first column of file b and join to file a and get output as below
tom,1234,abcf
sam,2345,drft
dog,4444,befr (2 Replies)
I have a tab delimited text file that I want to cut columns 3,4,5 from. Then I want to paste these columns into a space delimited text file between columns 2 and 3. I still want to keep the space delimited format in the final text file. How do I go about doing that? Thanks! (1 Reply)
Hi all,
I tried to use the paste command to paste two files with different number of lines.
e.g.
file1
A 1
B 1
C 2
D 2
file2
A 2
B 3
C 4
D 4
E 4 (2 Replies)
Hi all,
I have certain task to do, which involves reading the first column of 1.txt file.
This is variable "event"
28434710
23456656
3456895
& finding this "event" in some other text file 2.txt, which has information in the following format
#Zgamma: 1 run: 160998 event: ... (7 Replies)
quick question.. say i have few files in D or E drive.. i want to paste them in Filesystem that is /home/vivek folder... but when i try to do that it shows some error saying "There is not enough space on the destination. Try to remove files to make space."
but i think its due to authorization... (3 Replies)
Hi,
I have around 400 directories each one named as hour_1/ , hour_2/ .....hour_400/ and each of these contains two files, namely:
File1: hour_1.txt (in hour_1/) , hour_2.txt (in hour_2/) ....hour_400.txt (in hour_400/) etc...
File2: client_list_hour_1.txt (in hour_1/),... (7 Replies)
hi,
i want to PASTE two files, with a delimiter in between, using awk and pipe the output to another file. i am able to achive the reqirement using PASTE command. but it has a limitation of length till 511 bytes.
Example:
-------
File1:
----
sam
micheal
file2:
----
bosco... (11 Replies)
Discussion started by: mohammedsadath
11 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)