RosettaCommons / RosettaCommons/foundry
docking
Open
Nobody has claimed this yet.
question
- Dominant language
- Python
- Stars
- 966
- Forks
- 181
- Avg merge
- 4d 4h
- Merged PRs (30d)
- 2
Description
I have predicted structure from AF3 server (contains AMP and NADPH), and i want to use rf3 to dock the ligand to the structure. Or i want to make constraint for my structure (contain protein, AMP, NADPH and ligand) through rf3. Is there a demo?
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
The issue describes docking an AMP/NADPH-containing AF3 structure with RF3 or creating constraints, but names no file, test, or entry point. Start by identifying the repository's RF3 usage guidance and examples; done should be a documented, reproducible path for both the docking and constraint questions.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- bioinformatics, machine-learning
- Issue type
- Documentation
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 20/100