RosettaCommons / RosettaCommons/RFdiffusion

How to use the trb file in combination with ProteinMPNN

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Python
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Description

Hi, RF diffusion team,
I am inpainting a protein with varied AA length.
For a fixed length of design, I can use --fixed_positions_jsonl function in ProteinMPNN.

For a varied length of designs, the .trb file outputs which residues were fixed during RFdiffusion nicely.
Is there a way I can fed this trb information to ProteinMPNN?

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start by reviewing the RFdiffusion documentation and the workflow around the .trb output, then compare it with ProteinMPNN's --fixed_positions_jsonl input. The issue does not name a file, test, or entry point, so first determine whether existing documentation or scripts describe converting residue information between the two tools. Done would be a documented, reproducible way to use varied-length fixed-residue information with ProteinMPNN.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
bioinformatics, machine-learning
Issue type
Documentation
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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