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README.md

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@@ -9,17 +9,17 @@ Simply download the Python script ipsae.py. It may be necessary to install the P
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# Usage:
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AlphaFold2:
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python ipsae.py <path_to_json_file> <path_to_af2_pdb_file> <pae_cutoff> <dist_cutoff>
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python ipsae.py <path_to_af2_json_file> <path_to_af2_pdb_file> <pae_cutoff> <dist_cutoff>
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python ipsae.py RAF1_KSR1_scores_rank_001_alphafold2_multimer_v3_model_4_seed_003.json RAF1_KSR1_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_003.pdb 15 15
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AlphaFold3:
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python ipsae.py <path_to_json_file> <path_to_af3_cif_file> <pae_cutoff> <dist_cutoff>
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python ipsae.py <path_to_af3_json_file> <path_to_af3_cif_file> <pae_cutoff> <dist_cutoff>
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python ipsae.py fold_aurka_tpx2_full_data_0.json fold_aurka_tpx2_model_0.cif 10 10
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Boltz1:
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python ipsae.py <path_to_pae_npz_file> <path_to_mmcif_file> <pae_cutoff> <dist_cutoff>
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python ipsae.py <path_to_boltz1_pae_npz_file> <path_to_boltz1_cif_file> <pae_cutoff> <dist_cutoff>
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python ipsae.py pae_AURKA_TPX2_model_0.npz AURKA_TPX2_model_0.cif 10 10
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