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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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Question about the preprocessing of PDB file.

violet-sto opened this issue · comments

commented

Hi,

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

commented

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.