RosettaCommons / RosettaCommons/RFdiffusion
Can RFDiffusion be used to optimize the structure of the homodimer predicted by af2-multimer?
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- Dominant language
- Python
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Description
Hi, thank you for your contribution and great work done on this project.
I have some homodimer structure prediction tasks, and the results of the af2-multimer output are not very good in terms of symmetry. I wonder if the partial structure diffusion in this repo can be used to optimize the structure of its specific region? However, it is troublesome to keep the sequence corresponding to the optimized structure unchanged. I don't know if this can be achieved, or is there any other way?
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First steps
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Research direction
The issue concerns partial structure diffusion in RFdiffusion applied to an af2-multimer homodimer, but it names no file, test, or entry point. Start by locating the repository guidance or examples for partial structure diffusion and sequence constraints; done means determining whether the target region can be optimized while preserving its corresponding sequence, or documenting why it cannot.
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Assessment
- Tech stack
- python
- Domain
- bioinformatics, machine-learning
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100