Hi, I'm totally new to Unix. I'm an MVS mainframer but ran into a situation where a Unix server I have available will help me. I want to be able to remotely connect to another server using FTP, login and MGET all files from it's root or home directory, logout, then login as a different user and do... (1 Reply)
I have a file MyTest.csv saved in Unicode format in Incoming directory, and I have another file called MyTest.csv saved in ANSII format in InProcess Directory.
I need to concatenate the text of both these files and put in another file MyTest.csv which is placed in the root directory.
How do I... (1 Reply)
I have directory structure sales_only under which i have multiple directories for each dealer
example:
../../../Sales_Only/xxx_Dealer
../../../Sales_Only/yyy_Dealer
../../../Sales_Only/zzz_Dealer
Every day i have one file produce under each directory when the process runs.
The requirement... (3 Replies)
I have a file named "file1" which has the following data
10000
20000
30000
And I have a file named "file2" which has the following data
ABC
DEF
XYZ
My output should be
10000ABC
20000DEF (3 Replies)
In any given file, wherever a certain data block exists I need to concatenate the values(text after each "=" sign) from that block. in that block. The block starts and ends with specific pattern, say BEGIN DS and END DS respectively. The block size may vary. A file will have multiple such blocks.... (12 Replies)
Hi All,
Need your help.
I will need to concatenate around 100 files but each end of the file I will need to insert my name DIRT1228 on each of the file and before the next file is added and arrived with just one file for all the 100files.
Appreciate your time.
Dirt (6 Replies)
- Concatenate files and delete source files. Also have to add a comment.
- I need to concatenate 3 files which have the same characters in the beginning and have to remove those files and add a comment and the end.
Example:
cat REJ_FILE_ABC.txt REJ_FILE_XYZ.txt REJ_FILE_PQR.txt >... (0 Replies)
I have a text file in the below format:
chr1 10002681 10002826 LZIC
chr1 10002980 10003083 NMNAT1
chr1 10003485 10003573 NMNAT1
chr1 100111430 100111918 PALMD
chr1 100127874 100127955 PALMD
chr1 100133197 100133322 PALMD
chr1 100152231 100152346 PALMD
chr1 100152485 100152519 PALMD... (8 Replies)
Discussion started by: cmccabe
8 Replies
LEARN ABOUT OPENDARWIN
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)