Hi
I have some list of files in a .dat
i need to read them line by line and assing them to variables.
For ex: list of files are some,some1
i need two variables g1 as some and g2 as some1.
and then need to perform some operations on g1 and g2
for which i can get some o/p, i need to capture the O/p in a file and again assign them to variables like g1_l1,g1_l2..for g1 and g2_l1,g2_l2....
below is the script that generated but it is not functioning correctly. Can you please help me....
Last edited by Ravindra Swan; 05-07-2013 at 06:33 AM..
Reason: Change in title
i have the following perl script.but it searches for a given filename.
i want to run the same script in my directoy which has subdirectories too and it has to display the file if sreach satisfies along with directory name.
can anyone help me:
perl script:
my $FILE = $ARGV;
for zf in... (4 Replies)
Hi All
I have files contains rows which look like this:
2 20090721_16:58:47.173 JSUD2 JD1M1 20 IAM 966591835270 249918113182 b 3610 ACM b 3614 ACM b 3713 CPG b 3717 CPG f 5799 REL b 5815 RLC b 5817 RLC :COMMA: NCI=00,FCI=6101,CPC=0A,TMR=00,OFI=00,USI: :COMMB: BCI=1234: :RELCAUSE:10:
... (1 Reply)
Hi all
Iam very new to Shell Scripting, I have to modify a shell script looking at an existing one except that it will query against some table X in A database.
Befor Spooling check if there are any reload files if there archive the files.
The above scipt executes some abc.sql which will b a new... (2 Replies)
Hello Team,
I have prepared script which will check for listening message for ports 1199,1200 and 1201. I need modifcation in script in such a way that if port 1200 is not listening then it should message rmi port 1200 is not listening. Smap for port 1199 and 1201.
kindly guide me to acheive... (4 Replies)
I want the below script to omit every chunk of data that contains a specific hostname.
here's the scenario. i have a configuration file that contains the configuration of several hosts. a sample of this configuration file is this:
define host {
address ... (12 Replies)
hi guys,
i have a script that basically just sums up the values of 2 particular columns in a file, grouped by the columns specified as well
The script is quite long, but it's basically just repetitive.. just for each condition.
This script only accepts one type of input file.
... (22 Replies)
Hi,
I have below script, i want to monitor that that ntp server listed in setting is under sync or not. I wrote below script but it is not working properly.
Here are problems, first it should server under sync if "*" shows and rest if shows "+" it means it is next server in waiting list.... (4 Replies)
Hi All,
In the below script, I am calling one sql file test.sql If this file returns any data then I have to generate this file test_$RUN_DATE.FCNA If the sql files returns no data then I dont want to generate this file test_$RUN_DATE.FCNA.
I tried one approach like: check the size of FCNA files... (1 Reply)
Discussion started by: praveenk768
1 Replies
LEARN ABOUT PHP
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)