Hi everyon,
I am trying to search for a pattern in a file and add "//" to the begining of the file.
lets say i want to comment out a line from my codes. the line that should be commented out contains the word "reset". i need to search for the word "reset" and comment out that specific line. is... (5 Replies)
I used following to add * at the end of the line in file1.
It adds * at the end but has a space before it for some lines but some other lines it adds exactly after the last character.
How do I take out the space ?
sed 's/$/*/' file1 > file2
example:
contents of file1 :
... (2 Replies)
Hi,
how could you go about removing words that begin with a certain character.
assuming that this character is '-' I currently have
echo "-hello" | sed s/-/""/
which replaces the leading dash with nothing but I want to remove the whole word, even if there are multiple words beginning... (3 Replies)
Hi,
I have file a.txt as below. I want to add one string root beginning of each line.
Sample file a.txt
aaa
bbb
ccc
Sample output
Root aaa
Root bbb
Root ccc
Can any one help me on this? (6 Replies)
about 200 files with names as
11_0.pdb
11_60.pdb
12_12.pdb
14_180.pdb
are there in my library...I need to rename all of them by addinf File in front of them as:
File11_0.pdb
File11_60.pdb
File12_12.pdb
File14_180.pdb
I checked many threads but it seems i get even more confused..i... (1 Reply)
Hi All,
i am taking end of records using tail command got the out is "END OF FILE. ROW COUNT: 10"
and record count in the file is 3. while append the both data into test2.txt file,it's append like
END OF FILE. ROW COUNT: 108
my output should be in the test2.txt file
END OF FILE. ROW... (9 Replies)
Need to add end of line character to last record in a fixed width file.
When i take the record length of each line, for all the records it gives example like 200 except the last line as 199.
Due to this my other script fails.
Please help me on this. (4 Replies)
Hi,
I am doing something like below:
cat file1>file3and
cat file2>>file3
I wanted to check if there is a way to write a custom message(hardcoded message)something like below at the beginning of each line then PIPE delimitiation and then followed by remaining record.
cat file1... (7 Replies)
Hi all and apologies for the silly question, but I've searched and I can't get this right.
I have a list of email addresses in a file that I need to blacklist (spam). the list is quite long and I would need to script a small routine so that I can get the following for each line in the file:
db... (4 Replies)
I need to manipulate one Database file on Solaris 11 in which contains more than 5000 lines of data file path like this:
'/data1/oradata/DBNAME/system01.dbf',
'/data7/oradata/DBNAME/undotbs1_01.dbf',
'/data1/oradata/DBNAME/sysaux01.dbf',
'/data28/oradata/DBNAME/userdata01.dbf',
... (6 Replies)
Discussion started by: duke0001
6 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)