You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
I've been trying to run a test using the esmflow_md_templates_base_202402 model, but it is having issues writing the output to a PDB. This has been the case whether I run the splits/atlast_test.csv or my own test input. Seems to be an issue in the Openfold library
Traceback (most recent call last):
File "/home/josh/github_repos/alphaflow/predict.py", line 133, in <module>
main()
File "/home/josh/miniconda3/envs/openfold_env/lib/python3.9/site-packages/torch/utils/_contextlib.py", line 116, in decorate_context
return func(*args, **kwargs)
File "/home/josh/github_repos/alphaflow/predict.py", line 127, in main
f.write(protein.prots_to_pdb(result))
File "/home/josh/github_repos/alphaflow/alphaflow/utils/protein.py", line 163, in prots_to_pdb
prot = to_pdb(prot)
File "/home/josh/github_repos/alphaflow/openfold/np/protein.py", line 341, in to_pdb
chain_index = prot.chain_index.astype(np.int32)
AttributeError: 'NoneType' object has no attribute 'astype'
I've been trying to run a test using the esmflow_md_templates_base_202402 model, but it is having issues writing the output to a PDB. This has been the case whether I run the splits/atlast_test.csv or my own test input. Seems to be an issue in the Openfold library
Here it seems to show that the chain_index attribute in the Protein class is Optional and can be None:
https://github.com/aqlaboratory/openfold/blob/23cf2f6107bf5753cfb12ce05895d66f2135d9cd/openfold/np/protein.py#L68C1-L69C45
However, most of the lines calling
chain_index
in the functionto_pdb()
break if chain_index does not exist/is NoneThe text was updated successfully, but these errors were encountered: