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I have a file which is a catalog of molecules with information about those molecules. It is structured as follows:
blah
molecule1
info
blah
molecule2
info
The number of lines of info for each molecule varies. The header "blah" stays constant. I want to extract "blah" through info for each molecule in place the extracted data into a file named after that molecule. So,
blah
molecule1
info
Would go into a file named molecule1 with the extension mol2 (molecule1.mol2). All files would have this extension. I'm new to programming/scripting and would appreciate any help/comments. I've done this:
awk '/^molecule/,/blah/' file
But, that of course leaves out the initial header "blah" and I have no idea how to loop this. Thanks.
I have a file which is a catalog of molecules with information about those molecules. It is structured as follows:
blah
molecule1
info
blah
molecule2
info
The number of lines of info for each molecule varies. The header "blah" stays constant. I want to extract "blah" through info for each molecule in place the extracted data into a file named after that molecule. So,
blah
molecule1
info
Would go into a file named molecule1 with the extension mol2 (molecule1.mol2).
there's an "algorithm" to do that. so you can use it in any other languages.
Code:
i=0
while read -r line
do
case $line in
blah )
i=$(( i+1 )) #increment your file counter
file="molecule${i}.mol2" #initialize new file name
echo $line >> $file;; # print to the new file name
*) echo $line >> $file ;; # concat the rest of the line
esac
done < "file"
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