Need to dock 1000 peptide for one protein in HPC. Is there is any way to do that in one job?

1

Hello,

I want to dock 1000 peptide against one protein. Is that any efficient way to do that other than one json for each. Also, I have to use HPC installation for this. Can I generate the output in the same format as that of web server?

Thanks

2

The new HADDOCK3 version does generate similar reports as the web server.

And to run a large number of docking runs, you can use for example the haddock-runner

3

That’s great. Ill reconfigure my system and also will try the haddock runner.

Thank you so much for your prompt response.

Regards

4

Hello Bovin,

I am unable to find any tutorial for haddock3+haddock-runner.

How to use both these together.

Regards

5

Check https://www.bonvinlab.org/haddock-runner/

6

Thank you so much. Ill check.