Like you did with the input, you can redirect the output
This is far more efficient than each time open-append-close.
(The csh does not have this capability.)
Hi,
I have a huge file & I want to add a specific text in column. But I want to add this text from a specific line number to a specific line number & another text in to another range of line numbers.
To be more specific: lets say my file has 1000 lines & 4 Columns. I want to add text "Hello"... (2 Replies)
Is there anyway to use awk to add a first column to my data that automatically goes from 1 to n , where n is the numbers of my rows?:confused: (4 Replies)
Hi All,
I have a file example.csv which looks like this
GrpID,TargetID,Signal,Avg_Num
CSCH74_1_1,2007,61,256
CSCH74_1_1,212007,647,679
CSCH74_1_1,12007,3,32
CSCH74_1_1,207,299,777
I want the output as
GrpID,TragetID,Signal-CSCH74_1_1,Avg_Num
CSCH74_1_1,2007,61,256... (4 Replies)
Hi All,
I have a file example.csv which looks like this
GrpID,TargetID,Signal,Avg_Num
CSCH74_1_1,2007,61,256
CSCH74_1_1,212007,647,679
CSCH74_1_1,12007,3,32
CSCH74_1_1,207,299,777
I want the output as
GrpID,TragetID,Signal-CSCH74_1_1,Avg_Num
CSCH74_1_1,2007,61,256... (1 Reply)
Hello all,
I'm new to the forums and hope to be able to contribute something useful in the future; however I must admit that what has prompted me to join is the fact that currently I need help with something that has me at the end of my tether.
I have a PDB (Protein Data Bank) file which I... (13 Replies)
I am a newbie to shell programming and maybe somebody can help me out a little. Here's my problem:
I got a PIPE delimited file with header record. I need to add a new column name as RECORDKEY. I would like to use a counter to generate this new value for each record. I plan to do a while loop and... (4 Replies)
Hello,
I have a data such as this:
ENSGALG00000000189 329 G A 4 2 0
ENSGALG00000000189 518 T C 5 1 0
ENSGALG00000000189 1104 G A 5 1 0
ENSGALG00000000187 3687 G T 5 1 0
ENSGALG00000000187 4533 A T 4 2 0
ENSGALG00000000233 5811 T C 4 2 0
ENSGALG00000000233 5998 C A 5 1 0
I want to... (3 Replies)
Input file :
5 20
500 2
20 41
41 0
23 1
Desired output :
5
2
20
0
1
By comparing column 1 and 2 in each line, I hope can print out the column with smallest number.
I did try the following code, but it don't look good :( (2 Replies)
please write a shell script
Table
--------------------------
1 2 3 a b c
3 4 5 c d e
7 8 9 f g h
Output should be like this
---------------
1 2 3
3 4 5
7 8 9
a b c
c d e
f g h (1 Reply)
Split column data if the table has n number of column's with some record then how to split n number of colmn's line by line with records
Table
---------
Col1 col2 col3 col4 ....................col20
1 2 3 4 .................... 20
a b c d .................... v
... (11 Replies)
Discussion started by: Priti2277
11 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)