sokrypton / sokrypton/ColabFold
HETATM's can break custom templates
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- Dominant language
- Jupyter Notebook
- Stars
- 2.9k
- Forks
- 747
- PR merge metrics
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Description
Attached PDB has HETATM's with the chain name BK7. Something with the HHsearchFeaturizer doens't like this.
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by downloading the attached hetatm_bk7_bug.zip and reproducing the failure in the HHsearchFeaturizer with the included PDB. Trace where the BK7 chain name is processed; done means the custom-template workflow handles this input without breaking.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- jupyter-notebook
- Domain
- bioinformatics
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100