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hi! When I use your code to process cif files, I get an error. I checked the code, you did not pass in ‘covalents’ when you finally returned it.
File "/home/wensm/boltz/scripts/process/mmcif.py", line 1121, in parse_mmcif return ParsedStructure(data=data, info=info) TypeError: ParsedStructure.__init__() missing 1 required positional argument: 'covalents'
The text was updated successfully, but these errors were encountered:
And why is msa_id set to null? This causes the msa file to be unable to be matched during trainnig.
# rcsb.py line 136 for i, chain in enumerate(structure.chains): key = f"{pdb_id}_{chain['entity_id']}" chain_info.append( ChainInfo( chain_id=i, chain_name=chain["name"], msa_id="", # FIX mol_type=int(chain["mol_type"]), cluster_id=clusters.get(key, -1), num_residues=int(chain["res_num"]), ) )
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hi!
When I use your code to process cif files, I get an error. I checked the code, you did not pass in ‘covalents’ when you finally returned it.
The text was updated successfully, but these errors were encountered: