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Hi Scrutinizer

I managed to extract them using

grep -B 2 "0.0000" $LINE.ORBITALS | head -5 > $LINE.MAKEMOL

to create a new file containing the required segment!

Let me know if you...

Those are greater parameters @Scrutinizer, I've tried applying it to an enhanced script, the only difference is that I must extract before a line number so i tried

awk '
$0~Hstart{
c=0
...

I reserached that and got a song from 'Daddy Kane - oh ah , na na na na' :p

Yes please explain the script!
I'd have no idea how to reciprocate it in a different application.

I've got a fish,...

Keen eye @Scrutinizer

Would you mind posting the parameters so I could understand and apply to future work?

It did work amazingly! and you have my thanks :D

Are you converting to C++ and...

Thanks for the reply @Scrutinizer,

I'm not sure about the terminology you used (think $0 = return current shell) apart from that I have next to no idea and i'm probably missing some inputs :p

I...

Thank you Mr.Singh,
I apologize that I didn't evaluate more.
The input file has many ORBITAL ENERGIES as titles which is why I used tail -1 when cutting the line number, as it is the last one I am...

Hi Mr.Singh
No this isn't homework, it's a way to automate my tasks and learn scripting whilst working on computer modelling. I am a Chemistry student at a Third level in university, working on...

Hi UNIX Members,

I've been tasked with performing the following:
Extract a block of data in column form
#This data changes each time, therefore automating future procedures

Please Note the...