sokrypton / sokrypton/ColabFold
How to use ColabFold to predict the 3D structure of a protein dimer linked by a disulfide bridge?
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Description
Hi,
I am attempting to utilize ColabFold to predict the 3D structure of a protein dimer connected by a disulfide bridge.
I understand that AlphaFold can accomplish this using the following command line:
alphafold_run(
fasta_file="protein_dimer.fasta",
disulfide_bond_connectivity="C100-C200",
homology_models=["protein_dimer_homology_model.pdb"],
experimental_data=["protein_dimer_cryo_em.mrc"],
temperature=0.5,
num_iterations=100
)
However, I lack the necessary resources to execute AlphaFold on our GPU cluster.
Fortunately, I have learned that ColabFold is capable of performing this type of analysis.
Unfortunately, I have been unable to determine how to input the parameters required for such an analysis.
I would greatly appreciate your assistance and guidance.
Thank you for your time and consideration.
Best,
Alexis
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
Start by reviewing ColabFold's documented input options and the parameters listed in the issue, including disulfide connectivity, homology models, experimental data, temperature, and iterations. Confirm whether ColabFold supports these inputs and document the supported workflow or limitations; done means the requester has clear guidance for running the dimer prediction.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- jupyter-notebook
- Domain
- bioinformatics
- Issue type
- Documentation
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 20/100