Leveraging peak Australian compute to enable workflows for predictive structural biology at scale -- 2025 ABACBS workshop

Prerequisites

You’ll need a laptop with a web browser and a terminal. See also the Setup page.

You might want to brush up on the fundamentals of the Linux Shell for HPC.

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Acknowledgements

Schedule

Setup
00:00 1. HPC connection and workshop setup
00:10 2. Structure-based function annotation
00:15 3. Setup nf-core/proteinfold on Setonix
00:25 4. Run nf-core/proteinfold on Setonix
00:45 5. Evaluate outputs of nf-core/proteinfold
00:55 6. Using structures to annotate function
01:05 7. Multimer structure prediction
01:20 8. Disconnecting properly
01:25 Finish

The actual schedule may vary slightly depending on the topics and exercises chosen by the instructor.