adarsh
August 19, 2021, 9:34pm
2
@uebmaster : Thank you for posting your query here and welcome !http://autodock.scripps.edu/faqs-help/tutorial/using-autodock-for-virtual-screening/VSTutorial2.pdf
Hey I am new to Virtual Screening.
To learn this I had started with tutorial named “Using AutoDock 4 for Virtual Screening”.
I was able to replicate the results (UPTO exercise 11) on my local machine.
Now I am trying to replicate the section named “Using the TSRI cluster: garibaldi” on my college server.
I do not have sudo rights in my college server.
So what I did was:
Installed CONDA on the server. I made a virtual environment there.
Installed autodock, autodock Vina, autodocktools, mgl…
Because it isn’t always convenient to explore software in a production environment, Altair PBS Professional has many features that allow users to simulate huge computing node environments on relatively simple, inexpensive hardware. This document...
Pleaset note:
you can build a cluster with group of linux machines
If you would need to submit 100’s of jobs (any type from any application that supports batch processing) and want to execute in certain queue/ order / policy then you needs a Work Load Manager (openpbs) on that cluster