RosettaCommons / RosettaCommons/RFdiffusion
Are there any options / tricks to better enforce hotspot binding points?
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- Dominant language
- Python
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Description
Hi,
I am trying to generate binders to a receptor, but the generated binders are often not in the pocket specified by the target hotspots.
I've tried different variations, e.g. specifying more / less hotspots, but the binding location generated still seems pretty random.
Is there any setting or part in the code I can change which may help better enforce the binding location?
Thanks
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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.
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Research direction
No file, test, or entry point is named. Start by reproducing binder generation with the reported hotspot variations, then trace how hotspot inputs are applied and compare the generated binding locations; done means identifying a concrete setting or code path that reliably enforces the requested binding pocket.
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Assessment
- Tech stack
- python
- Domain
- bioinformatics, machine-learning
- Issue type
- Bug
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 20/100