Starting from a list of PDB-codes, the script generates idealized conformersfor ligands and evaluates their RMSD to the conformation in the PDB.
Usage: python find_binding_conformation.py pdb_example.txtOutput: subdirectories for each PDB entry with the conformers generated for each protein ligand, and a spreadsheet (.csv) with the results of thecomparison.
This is an example list of PDB entries to use with the script.
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