sokrypton / sokrypton/ColabFold

AlphaFold2_batch could only take monomer prediction

Open
#783 2 comments 0 reactions 0 assignees View on GitHub

Nobody has claimed this yet.

Dominant language
Jupyter Notebook
Stars
2.9k
Forks
747
PR merge metrics
No merged PRs in 30d

Description

Hi all,

Thanks for making alphafold2 easily accesible!

While I was running alphafold2_batch, I noticed that no matter how I put the input fasta files, it will only process the first chain and discard other chains.

Is there a workaround or easy fix that could enable it to predict complex which has multiple chains?

Thanks very much!

Ruizhi

example of my fasta file

chain_A
GGGGGGGGGG
chain_B
GGGGGGGGGGGGGGGGGGGGGG

Contributor guide

Open the contributing guide

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 reproducing alphafold2_batch with the provided multi-chain FASTA example, then trace how its input is parsed and how chains are selected. Done means a FASTA containing multiple chains processes all chains for complex prediction rather than discarding every chain after the first.

Written by the indexing model from the issue text.

Assessment

Tech stack
jupyter-notebook
Domain
bioinformatics
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
35/100

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.