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UCLOrengoGroup / cath-tools

Protein structure comparison tools such as SSAP and SNAP
http://cath-tools.readthedocs.io
GNU General Public License v3.0
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Recommended options for SCOP40 test #81

Open rcedgar opened 1 month ago

rcedgar commented 1 month ago

I'd like to add SSAP to the SCOP40 benchmark reported here:

https://www.biorxiv.org/content/10.1101/2024.05.24.595840v2

What are the recommended command-line options? Thanks!

rcedgar commented 1 month ago

Update -- Rough estimate, looks like this compute would need1,000 vCPU-days which is over my budget. If you guys have pre-computed SCOP40 results or would like to run this, I'm happy to include it, otherwise it looks to be too expensive.