I have to find the number of rows in a file and delete those many rows in another file.
For example, if I have 3 rows in a file A, i have to delete first 3 rows in anothe file B,
I have the code, it works as standalone, when I merge this with m application (c with unix), it doesnt work.
... (2 Replies)
Hi All,
I have a file which is like this:
rows.dat
1 2 3 4 5 6
3 4 5 6 7 8
7 8 9 0 4 3
2 3 4 5 6 7
1 2 3 4 5 6
I have another file with numbers like these (numbers.txt):
1
3
4
5
I want to read numbers.txt file line by line. The extract the row from rows.dat based on the... (3 Replies)
Right now there is no unix direct commad that can sort the files base on its name having numbers:
We can use the following:
In case your file name are like:
abc-UP018.zip
xyz-UP019.zip
ls *|sort -t'-' -k2 (2 Replies)
Hello friends,
Is there any way to split file from n to n+6 into 1 file and (n+7) to (n+16) into other file etc.
f.e I have source pipe delimated file with 20 lines and i need to split 1-6 in file1 and 7-16 in file2 and 17-20 in file 3
I need to split into fixed number of file like 4 files... (2 Replies)
Hi All
I have one query,say i have a requirement like the below code should be
move to diffent files whose maximum lines can be of 10 lines.Say in the below example,it consist of 14 lines.
This should be moved logically using the data in the fisrt coloumn to file1 and file 2.The data of first... (2 Replies)
Hello friends
Please help me to display the content of a file in specific aligned manner.
for ex.
the content of the file may be
>$TEST
WELCOME
HI
HELLO
UNIX
SHELL
SCRIPTING
>$
I want to display the content like
.
TEST WELCOME HI
HELLO ... (18 Replies)
Dear All,
I have to split a tab delimited file in two files based on the presence of a positive or negative in column number 9 , for example
file:
A 1 5 erg + 6766 0.9889 0.9817 9.01882 erg inside upstream
B 1 8 erg2 + 6766 0.9889 0.9817 -9.22 erg2 inside... (3 Replies)
Hi,
I am trying to extract lines from a text file given a text file containing line numbers to be extracted from the first file. How do I go about doing this? Thanks! (1 Reply)
I have a large text file in following format
cat input.txt
abc
qwert
qwer
afweferf
wdfwefwe ==> kjhjkwdd
mnmn ==> jkjkjwekj
poiu ==> lklklke
tytyutut ==> olkjmnsmn
I need to align those lines with the characters " ==>" . I dont want to disturb the lines which dont have "==>".
The... (6 Replies)
I have a file that is pipe delimited and in Column F they have number values, both positive and negative. I need to take the one file I am starting with and split it into two separate files based on negative and positive numbers. What is the command to do so? And then I need to also transfer... (4 Replies)
Discussion started by: cckaiser15
4 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)