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rdk / p2rank

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

Home Page:https://rdk.github.io/p2rank/

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Dataset contains invalid files

amarye opened this issue · comments

commented

I have followed your instruction for binary backage. But when I ran prank, I got error about dataset.
So could you help me please to fix this problem?
Screenshot from 2022-11-30 11-49-48

commented

If you run prediction directly on pdb or cif file, you need to use -f command line option.
So your command should be: ./prank.sh predict -f cyclin-D1.pdb.

By the way, unsess you plan to train new P2Rank prediction models, I recommend using prank script in '/distro' directory to run basic predictions.

commented

Thank you. I got it