Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Chain names have a max length of 5 #181

Open
alexcritschristoph opened this issue Feb 14, 2025 · 0 comments · May be fixed by #188
Open

Chain names have a max length of 5 #181

alexcritschristoph opened this issue Feb 14, 2025 · 0 comments · May be fixed by #188

Comments

@alexcritschristoph
Copy link

alexcritschristoph commented Feb 14, 2025

When I have a chain ID longer than 5 characters I get:

  File "/usr/local/lib/python3.11/dist-packages/boltz/main.py", line 613, in predict
    process_inputs(
  File "/usr/local/lib/python3.11/dist-packages/lightning_utilities/core/rank_zero.py", line 42, in wrapped_fn
    return fn(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/boltz/main.py", line 416, in process_inputs
    raise e
  File "/usr/local/lib/python3.11/dist-packages/boltz/main.py", line 324, in process_inputs
    target = parse_fasta(path, ccd)
             ^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/boltz/data/parse/fasta.py", line 129, in parse_fasta
    return parse_boltz_schema(name, data, ccd)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/boltz/data/parse/schema.py", line 852, in parse_boltz_schema
    msa_id=chain_to_msa[chain["name"]],
           ~~~~~~~~~~~~^^^^^^^^^^^^^^^
KeyError: 'Chain'

When my Chain ID is "ChainA". It seems to cap any ID off at 5 characters.

It is very useful to have Chain IDs longer than 5 characters in multimer prediction.

jsilter added a commit that referenced this issue Feb 19, 2025
Change chain name dtype to "O" so it can have arbitrary length.
@jsilter jsilter linked a pull request Feb 19, 2025 that will close this issue
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging a pull request may close this issue.

1 participant