Question about the preprocessing of PDB file.

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.

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

MIT License

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Question about the preprocessing of PDB file. #65

Closed violet-sto closed 6 months ago

violet-sto commented 1 year ago

Hi,

Do I need to preprocess the PDB files before running P2Rank, such as adding missing heavy atoms?

rdk commented 1 year ago

Hi,

no you don't need to do any preprocessing. P2Rank is fairly robust and should ba able to process any pdb or cif file you download from PDB.