Hi,
I need sample code to compare the two files line by line which contains text strings and to print the difference in the third file.
Thanks in advance (1 Reply)
Hi All,
In one shell script I have
In variable "i" I am getting a full path of a file. Now I want to compare something like
-- upper(*Nav*))
I dont want to do like below because in each CASE statement I doing so many operations.
Please guide me.
Thanks in advance... (4 Replies)
This might be a dummy question, but is there a command in UNIX that compare two strings character-by-character and display the difference?
---------- Post updated at 11:25 AM ---------- Previous update was at 10:32 AM ----------
Or probably what I'm looking is how to break a string into... (3 Replies)
Hello guys,
should be a very easy questn for you:
I need to delete strings in file1 based on the list of strings in file2.
like file2:
word1_word2_
word3_word5_
word3_word4_
word6_word7_
file1:
word1_word2_otherwords..,word3_word5_others... (7 Replies)
The question is not as simple as the title... I have a file, it looks like this
<string name="string1">RZ-LED</string>
<string name="string2">2.0</string>
<string name="string2">Version 2.0</string>
<string name="string3">BP</string>
I would like to check for duplicate entries of... (11 Replies)
I'm trying to write a bash script to perform basic arithmetic operations but I want to run a comparison on the arguments first to check that they're a number greater than zero.
I want an error to pop up if the arguments args aren't >= 0 so I have:
if ! ]; then
echo "bad number: $1"
fi
... (14 Replies)
Hello everybody,
I need to create a file name from string. The thing is:
I have a directory with files e.g:
test.123
test.234
test.345
test.987
The name should be made from the first and last name of file alphabetically and from the directory, they are in, eg.
... (2 Replies)
Hello Everyone ,
Iam a newbie to shell programming and iam reaching out if anyone can help in this :-
I have two files
1) Insert.txt
2) partition_list.txt
insert.txt looks like this :-
insert into emp1 partition (partition_name)
(a1,
b2,
c4,
s6,
d8)
select
a1,
b2,
c4, (2 Replies)
Discussion started by: nubie2linux
2 Replies
LEARN ABOUT HPUX
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)