Welcome to forums, request you to please use code tags as per forum rules for commands/codes/Inputs which you are using into your posts. For your requirement, could you please try following.
Second solution will leave all empty lines and will not count them. So output will be as follows.
Thanks,
R. Singh
Hi,
I have a script which removes 2 header records and 1 trailer record in a list of files. The commands doing the actions are
sed '1,2d' $file > tempfile1.dat
sed '$d' < tempfile1.dat > $output.txt
Its working fine for all records except a file having size=1445509814 and number of... (2 Replies)
Hi all this is a UNIX question.
I have a large flat file with millions of records.
col1|col2|col3
1|a|b
2|c|d
3|e|f
3|g|h
footer****
I am supposed to calculate the sum of col1 1+2+3+3=9, count of col1 1,2,3,3=4, and distinct count of col1 1,2,3=c3
I would like it if you avoid... (4 Replies)
Hi All,
when i ftp the file from windows machine to unix server the record count in the file is decreased by 1.
example: Say a text file has three lines in it and when you place this file in unix server from your local machine and run a below command
cat filename | wc -l
the output is... (2 Replies)
Could you please tell e how to find the total number of rows in a .dat file.
edit by bakunin: this is exactly why in "advanced and expert" section?? I transfer this thread to "Unix for Dummies Questions and Answers" (2 Replies)
Hi All,
I thinking on how to accelerate the speed on calculate the dat file against the number of records CTRL file.
There are about 300 to 400 folder directories that contains both DAT and CTL files.
DAT contain all the flat files records
CTL is the reference check file for the... (3 Replies)
Hi All ,
I have multiple pipe delimited csv files are present in a directory.I need to find out distinct count on a column on those files and need the total distinct
count on all files.
We can't merge all the files here as file size are huge in millions.I have tried in below way for each... (9 Replies)
Hi Everyone,
I am looking for awk command to retrieve only the record number 23 and record number 89 from a unix file? Please let me know what is the awk command for this?
Regards
Rakesh (1 Reply)
Use and complete the template provided. The entire template must be completed. If you don't, your post may be deleted!
1. The problem statement, all variables and given/known data:
I am looking for awk command to retrieve only the record number 23 and record number 89 from a unix file?... (6 Replies)
Discussion started by: rakeshp
6 Replies
LEARN ABOUT DEBIAN
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)