I'm doing a short batch script to compile po files producing output binary mo files.
The compilation command is:
msgfmt -o file.mo file.po
so in order to compile I am appending .mo to the varible in a loop.
It goes something like this:
for i in `find . -name "*.po"`
do
echo... (2 Replies)
Hi friends!
I am having some simple shell script files to build postgresql database and all. Now i want to convert those scripts to dos batch scripts(to run on windows XP/2000/NT) because there is no need of unix emulation for latest release of postgresql. Please somebody help me. (1 Reply)
so i have hundreds of files named history.20071112.tar
(history.YYYYMMDD.tar)
and im looking to extract one file out of each archive called status_YYYYMMDDHH:MM.lis
here is what i have so far:
for FILE in `cat dirlist`
do
tar xvf $FILE ./status_*
done
dirlist is a text... (4 Replies)
Hi all -
I'm trying to rename a large number of files all at once and need some help figuring out the command line syntax to do it. I've already done quite a bit of research with the rename and mv commands, but so far haven't found a solution that seems to work for me. So:
The files exist... (10 Replies)
Hi Gurus,
I have some files(all ending with .out as extension).
Ex:
aa1.out
aa2.out
aa3.out
I would like to append each file with the current date to the end of the file so that they should become aa1_20090504.out.
So I am using rename as follows:
for i in path/aa* ; do mv $i... (5 Replies)
Hello all, thanks for your time (and this forum, what an awesome resource for newbs like myself!)
Anyways, I've been given the task of importing content from a directory of about...7000 HTML files. They are all named appropriately and broken down by name depending on what book they belong too.... (8 Replies)
hi i have a folder full of files. some of the names are quite off because the dimensions were the same and i had to put a 'b' after the initial number so that it didnt overwrite. what i want is a script in unix to overwrite the filwe name leaving some of the title intact, e.g. below are some... (3 Replies)
Hello everyone. I am new to shell scripting and i am required to create a shell script, the purpose of which i will explain below.
I am on a solaris server btw.
Before delving into the requirements, i will give youse an overview of what is currently in place and its purpose.
... (2 Replies)
Hi all,
Wondering how this could be accomplished........
a directory contains sequentially numbered files from fw01 to fw999.
How would I insert an additional zero so that the directory lists these files in a proper manner?
(i.e. all double digit files from fw01 to fw99 would become... (3 Replies)
What is wrong with this script to rename batch of similar files? For example renaming all *.txt files to *.tab .
$ for i in seq {01..10}; do touch ${i}.txt; done
$ ./rename.sh *.txt txt tab
Error:
mv: ‘01.txt’ and ‘01.txt’ are the same file.
Code is:
#!/usr/bin/bash
# renames.sh
#... (6 Replies)
Discussion started by: yifangt
6 Replies
LEARN ABOUT MINIX
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)