Linux bash file to create many job files, then start all job files, log out
$10-30 USD
Paid on delivery
I am using AWS (Linux) and Putty to work with the Linux terminal. In the root directory, there are about 10 "protein" directories like
protein1
protein2
protein3
.
protein10
Each protein directory has only two files in it, one called e.g. "[login to view URL]", and another called "[login to view URL]". The protein2 folder has the 2 files named [login to view URL] and [login to view URL] in it.
There is another directory called Ligands, which contains 1000 drug files called e.g.
[login to view URL]
[login to view URL]
[login to view URL]
So, assume the list of protein folders is e.g. $dir, and the list of drug files (*.pdbqt) inside the Ligands folder is $f.
I need a Linux shell file (ASCII text) containing commands that will loop through the protein folder list, and for each directory, loop through $f, each time creating and saving a small (asciii text) job file containing the two lines:
cd protein1
~/vina --config [login to view URL] --ligand ~/Ligands/[login to view URL] --out [login to view URL]
The above ascii text file should be named e.g. "Job_protein1_drug1"
When done their will be 10,000 ascii text files, with names that range from
Job_protein1_drug1
Job_protein1_drug2
.
Job_protein10_drug1000
(recall, the last file listed above will have contets:
cd protein10
~/vina --config [login to view URL] --ligand ~/Ligands/[login to view URL] --out [login to view URL]
Once I run your shell file that creates the 10000 job files, I will start all of the job files using:
for file in *Job* ; do sh $file ; done
BUT I NEED TO BE ABLE TO LOG OUT OF PUTTY AND HAVE THE JOBS CONTINUE TO RUN.
In order to quit Putty and have all jobs run, should I submit the jobs to a queue? If so what would be the command for submitting the 10000 job files to the queue, perhaps by using the wild card "Job*" to represent all the job files?
Project ID: #24661172
About the project
Awarded to:
I will provide you with a shell script to perform exactly what you've described. I will also show you how to execute the generated scripts in the background so you can close the putty session without worry.
3 freelancers are bidding on average $32 for this job
I have experience working in Linux supercomputing environments and am able to assist you in navigating this task. I would prefer to do the task in Python because it is much more readable but I am able to do it in bash More