sokrypton / sokrypton/ColabFold
Can relax_amber.ipynb be modified to handle a set of uploaded pdbs?
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- Dominant language
- Jupyter Notebook
- Stars
- 2.9k
- Forks
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Description
Expected Behavior
generate a zipped file containing the amber relaxed structure of each uploaded pdb file
Current Behavior
only the first one is relaxed and downloaded
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
Open relax_amber.ipynb and trace how uploaded PDB files are selected, relaxed, and downloaded. Verify the workflow processes every uploaded file and produces one ZIP containing the relaxed structures, rather than returning only the first result.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- jupyter-notebook
- Domain
- bioinformatics
- Issue type
- Feature
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 45/100