So I've been banging my head against this for a few hours () and I can't see whats wrong with it, each part seems to work fine on its own when entered at command line, but then it falls down when pulled together.
I'm writing a script to translate fractional atomic coordinates to cartesian coordinates, itself a simple mathematical thing, but the input format is giving me trouble. The code should read in a .xyz file, which has 2 comment lines and then so many lines of atom x y z like so
48
Optimisation video
H 1.0000 1.0000 1.0000
C 1.2000 1.3000 1.3333
.
.
.
48
Optimisation Video
H 1.2000 1.2000 1.2000
C 2.0000 2.0000 2.0000
.
.
.
before being repeated (two comment lines etc) in a number of frames ($NoFrames), building up an animation of how the atoms move.
Ultimately I need to pull out each atom line and disregard the comment lines. I thought what I'd written (below) should do that but for some reason my sed -n statement always pulls out the comment lines as well
I've stripped all the code back to this, If i can get this part to work i can send the values off to be processed and then written into the output (Cartesian.xyz) file. Any help with this would be greatly appreciated and I hope I've made the problem as clear as I can, but please do tell me if I need to elaborate on something.
I want to combine 2 conditional statements by using -o in bash, but it won't work.
if ; then
echo "The number needs to be between 0 and $nr"
fi
Each time i execute the file it says:
./selectCitaat: line 10: syntax error near unexpected token `$1' (3 Replies)
Hi,
I need to escape slashes in my text, so I use this line:
search_string=`echo $var | sed 's@/@\\\/@g'`I expect that to replace a slash with a backslash followed by a slash. That works nicely, but it has a problematic side-effect. If there are two spaces in the var it replaces them with... (3 Replies)
I have the following bash script and it is not accepting the lines
"--"|"--""-")
"--""-"")
while
do
echo "Current Argument is ${1}"
case "$1" in
"--"|"--""-")
echo "Argument is ${1}"
shift # Skip ahead one to the next argument.
... (1 Reply)
Hi I need a script with an if statement that goes.
I need it to search through all files within a directory with the extension .test if it finds the string '71502FSC1206' then do
sed 's/71502FSC1206/\n&/g' > send.test
If it finds the string '715MCH' or '715JAC' then I need it to move the... (1 Reply)
Hey guys,
Currently trying to write a wee script that runs only when logged in as one of two users. The rest of the script is working fine, but no matter what user I try to run it as, it always fails! This is the puzzling part:if ]; then
echo "Run script as admin "
exit 1
else... (6 Replies)
Hi There,
I am trying to load data from a csv file into a DB during our DB migration phase. I am successfully able export all data into a .csv file but those have to rewritten in terms insert statement which will allow for further population of same data in different DB
My exiting csv record... (6 Replies)
Hi Gurus,
I have the below BASH code which does not works for upper case alphabets except Z (upper case Z).
What may be the reason. Also escape sequences like \n, \t, \b, \033(1m \033(0m (For bold letter) are not working.
case $var in
)
echo "Lower case alphabet"
;;
... (7 Replies)
I have the following code in bash, however "set red frmt" is not displayed.
echo "iarg_rd = $iarg_rd"
iarg_rd="2"
if ; then
echo "Hello World"
fi
if ; then
frmt="${gap}${!frmt_titl_yl}"
elif ; then
frmt="${gap}${!frmt_titl_bk}"
elif ; then
echo... (2 Replies)
Hi all,
i need a equivalent for the statement i run in bash, so it would also run in other shells. Specially i need it for ksh to run on AIX.
Here the statements:
exec > >(tee -a $log)
exec 2> >(tee -a $log >&2)
Thanks. (5 Replies)
Hi folks,
I have a scenario to convert the update statements into insert statements using shell script (awk, sed...) or in database using regex.
I have a bunch of update statements with all columns in a file which I need to convert into insert statements.
UPDATE TABLE_A SET COL1=1 WHERE... (0 Replies)