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protein-protein and protein-ligand data sets used in Rosetta score function development

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rpavlovicz-docking_data_sets

Protein-protein and protein-ligand data sets used in Rosetta score function development

Compressed files contain near-native and decoy docking poses for protein-protein and protein-ligand data sets. These files are in the Rosetta silent file format. The 'extract_pdbs' application of Rosetta can be used to extract files into pdb format. The params files required for interpreting small molecule topology are found in the protein-ligand->params subfolder. Example pdb extraction scripts are found in the respective folders.

The extraction script examples were verified to be working with Rosetta 3.12.

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