All,
I am trying to figure out a script to run in windows that will allow me to match on First column in file1 to 8th Column in File2 then
Insert file1 column2 to file2 column4 then create a new file.
File1:
12345 Sam
12346 Bob
12347 Bill
File2:... (1 Reply)
Hi all,
I'm trying to get a bash script working for a program (bowtie) which takes a list of input files (*.fastq) and assembles them to an output file (outfile.sam). All the .fastq files are in one folder in my home directory (~/infiles).
The problem is that the 'bowtie' requires that... (7 Replies)
1) I wrote a script and gave the desired permissions using "chmod 755 scriptname". Now if i edit the script file, why do i need to set the permission again? Didn't i set the permission attribute.. or if i edit the file, does the inode number of file changes?
2) I am running my unix on a server... (1 Reply)
I would create a bash script than parse like this:
test.sh -p (protocol) -i (address) -d (directory)
I need retrive the value after -p for example...
understand???
I hope...
thanks (6 Replies)
Hello,
I'm trying to figure out how best to approach this script, and I have very little experience, so I could use all the help I can get. :wall:
I regularly need to delete files from many directories.
A file with the same name may exist any number of times in different subdirectories.... (3 Replies)
Hi Sir,
I am just learning bash scripting and I came across a challenge.
I need to input F11 to a script among many text inputs.
For all the text inputs i did following.
# sh test.sh < input.txt
where input.txt contains all the text inputs in new lines.
This worked fine until i... (1 Reply)
Hello
I would like to write a bash shell script which will need user to supply one variable which is mandatory and some other optional variables. If mandatory variable is not supplied by user, the script will exit. If optional values are not supplied by user, hard-coded value (in the script)... (3 Replies)
I have the following while loop that I put in a script, demo.sh:
while read rna; do
aawork=$(echo "${rna}" | sed -n -e 's/\(...\)\1 /gp' | sed -f rna.sed)
echo "$aawork" | sed 's/ //g'
echo "$aawork" | tr ' ' '\012' | sort | sed '/^$/d' | uniq -c | sed 's/*\(*\) \(.*\)/\2: \... (3 Replies)
hello guys
i have bash script to open my routers with username and password
i made script but i have problem this script can/t read password from file
#!/bin/bash
router_file="ips"
passwd="password.txt"
for router in cat ;$router_file do
for pass in cat ;$passwd; do
res=$(curl -m 1 ... (7 Replies)
Hi,
when I try to redirect input and the command is described as a string within an array redirection does not work. why?
#!/bin/bash
dir=("tail < ./hello.txt")
tail < ./hello.txt #works
${dir} #does not work (2 Replies)
Discussion started by: heinzel
2 Replies
LEARN ABOUT BSD
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)