Hi All,
I have named a file with current date,time and year as follows:
month=`date | awk '{print $2}'`
date=`date | awk '{print $3}'`
year=`date | awk '{print $6}'`
time=`date +%Hh_%Mm_%Ss'`
filename="test_"$month"_"$date"_"$year"_"$time".txt"
> $filename
The file is created with a... (2 Replies)
Hi All,
We append the output of a file's size in a file. But a newline character is appended after the variable.
Pls help how to clear this.
filesize=`ls -l test.txt | awk `{print $5}'`
echo File size of test.txt is $filesize bytes >> logfile.txt
The output we got is,
File size of... (4 Replies)
Hi All,
I have 5000 records like this
Request_id|Type|Status|Priority|Ticket Submitted Date and Time|Actual Resolved Date and Time|Current Ticket Owner Group|Case final Ticket Owner Group|Customer Severity|Reported Symptom/Request|Component|Hot Topic|Reason for Missed SLA|Current Ticket... (2 Replies)
Hi,
I am facing difficulties in selecting the contents between two delimiters when there is a new line occurs..
Eg:
>more sample.txt
abcd -- this is the first line %
efgh-- this is the
second line and not
able to print %
ijkl -- this is the 3rd line %
when i search for abcd and... (8 Replies)
I'd like to remove (do a pattern or precise replacement - this I can handle in SED using Regex )
---AFTER THE 1ST Occurrence ( i.e. on the 2nd occurrence - from the 2nd to fourth occurance ) of a specific string : type 1
-- After the 1st occurrence of 1 string1 till the 1st occurrence of... (4 Replies)
Hi,
In my file, I have '\n' characters inside a single record. Because of this, a single records appears in many lines and looks like multiple records. In the below file.
File 1
====
1,nmae,lctn,da\n
t
2,ghjik,o\n
ut,de\n
fk
Expected output after the \n removed
File 2
=====... (5 Replies)
Hi,
I have a very huge file, around 1GB of data.
I want to remove the newline characters in the file but not preceded by the original end delimiter {}
sample data will look like this
1234567
abcd{}
1234sssss
as67
abcd{}
12dsad3dad
4sdad567
abcdsadd{}
this should look like this... (6 Replies)
Hi all..
I have a text file which looks like below:
abcd
efgh
ijkl
(blank space)
I need to remove only the last (blank space) from the file. When I try wc -l the file name,the number of lines coming is 3 only, however blank space is there in the file.
I have tried options like... (14 Replies)
I have a file which comes every day and the file data look's as below.
Vi abc.txt
a|b|c|d\n
a|g|h|j\n
Some times we receive the file with only a new line character in the file like
vi abc.txt
\n (8 Replies)
Hi,
I came across one issue recently where output from one of the columns of the table from where i am creating input file has newline characters hence, record in the file is spread over multiple lines. Fields in the file are separated by pipe (|) delimiter. As header will never have newline... (4 Replies)
Discussion started by: Prathmesh
4 Replies
LEARN ABOUT MOJAVE
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)