os=hpux11
shell=ksh
some jokers had written thousands of empty files into my $HOME. and the files are named inconsistently that some of them include space and double qoutes. all those files are of 0 size (when i did ls -al it told me so). the naming paterns are
like e.g of ls -al output:
... (3 Replies)
hi gurus,
I am having a file containing a list of tables.i want to find the count of records inside thes tables.
for this i have to connect into database and i have to put the count for all the tables inside another file i used the following loop once all the tablenames are inside the file.
... (1 Reply)
I have a csv file with lines like the followings
123456,"ABC CO., LTD","XXX"
789012,"DEF LIMITED", "XXX"
before I bcp this file to database, the comma in "CO.," need to be removed first.
My script is cat <filename> | sed 's/"CO.,"/"CO."/g'
but it doesn't work. Can anyone here able to... (2 Replies)
Hi,
I have a requirement to replace the comma's inside the double quotes. The comma's inside the double quotes will get changed dynamically.
Input Record:
"Washington, DC,Prabhu,aju",New York
Output Record:
"Washington| DC|Prabhu|aju",New York
I tried with the below command but it... (3 Replies)
Hi Experts,
I have a file with some of the records contain double quotes. If I found a double quote(") in any particular record , I need to look for the next double quote in that particular record and in between these quotes, if any comma(,) is there I need to replace with Tilde (~) in the same... (12 Replies)
Hi, all
I need to get fields in a line that are separated by commas, some of the fields are enclosed with double quotes, and they are supposed to be treated as a single field even if there are commas inside the quotes.
sample input:
for this line, 5 fields are supposed to be extracted, they... (8 Replies)
Hello,
I am having flat file (Comma Delimiter) and the data in the file is as given below.
EMPNO, ENAME, DESIGNATION, SALARY
10979, Arun Kumar, Cosultant, 35000
13555, Bidhu Shekar, Senior Consultant, 45000
15000, Kiran, Kumar, Senior, Consultant, 40000
If... (9 Replies)
Hello there,
I have a comma separated csv , and all the text field is wrapped by double quote. Issue is some text field contain comma as well inside double quote. so it is difficult to process.
Input in the csv file is ,
1,234,"abc,12,gh","GH234TY",34
I need output like below,... (8 Replies)
A Merry Xmas to all of you.
And, as a special present to vbe (he knows why) a little exercise:
#! /bin/ksh
pPrintSnow ()
{
typeset -i iLen=$1
while (( iLen )) ; do
if ! (( RANDOM % 31 )) ; then
printf "%1s" "."
else
printf "%1s" " "
fi
((... (0 Replies)
Hi Experts,
Please support
I have below data in file in comma seperated, but 4th column is containing comma in between numbers, bcz of which when i tried to parse the file the column 6th value(5049641141) is being removed from the file and value(222.82) in column 5 becoming value of column6.
... (3 Replies)
Discussion started by: as7951
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)