sokrypton / sokrypton/ColabFold

Predicting a complex with pair_mode="unpaired" fails

Open
#191 1 comment 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

Expected Behavior

Runs fine

Current Behavior

The program fails, due to the lack of the paired_msa variable.

Steps to Reproduce (for bugs)

  • Predict a complex using the AlphaFold2.ipynb notebook
  • Choose parameter pair_mode="unpaired"

ColabFold Output (for bugs)

2022-04-02 08:51:28,698 Could not generate input features 3f5wcomplex_da929: 'NoneType' object is not subscriptable
Traceback (most recent call last):
File "/usr/local/lib/python3.7/dist-packages/colabfold/batch.py", line 1141, in run
model_type,
File "/usr/local/lib/python3.7/dist-packages/colabfold/batch.py", line 839, in generate_input_feature
paired_msa[sequence_index]
TypeError: 'NoneType' object is not subscriptable
2022-04-02 08:51:28,700 Done

Context

Three relatively short chains that are not necessarily found as complexes in nature.

Your Environment

Current main branch (https://github.com/sokrypton/ColabFold/commit/b532e910b15434f707f0b7460abc25c70fcb9b26), running on Google Colab

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 with AlphaFold2.ipynb and reproduce the failure using pair_mode="unpaired". Then inspect colabfold/batch.py around generate_input_feature at line 839, where paired_msa is accessed; the work is done when complex prediction completes without the NoneType error.

Written by the indexing model from the issue text.

Assessment

Tech stack
jupyter-notebook, python
Domain
bioinformatics, machine-learning
Issue type
Bug
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
45/100

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.