I've been working on getting Vanilla_ProteinMPNN running locally and came across this error in the PDB parsing helper script. It appears that there is an extra space on line 127 of parse_multiple_chains.py which is removed by this PR.
Prior to making this change locally running the example scripts on different PDB files was unable to complete successfully. I found this error by looking into the parsed_pdbs.jsonl file generated by example 1 and noting that the JSON under O_chain_A was NaN for all PDBs that I tried to input. After this change, I have the correct 3D coordinate values and example 1 is able to run successfully.
I'm happy to provide more info if you need to reproduce the error.
Hello,
I've been working on getting Vanilla_ProteinMPNN running locally and came across this error in the PDB parsing helper script. It appears that there is an extra space on line 127 of parse_multiple_chains.py which is removed by this PR.
Prior to making this change locally running the example scripts on different PDB files was unable to complete successfully. I found this error by looking into the parsed_pdbs.jsonl file generated by example 1 and noting that the JSON under O_chain_A was NaN for all PDBs that I tried to input. After this change, I have the correct 3D coordinate values and example 1 is able to run successfully.
I'm happy to provide more info if you need to reproduce the error.