sokrypton / sokrypton/ColabFold
Predicting a complex with pair_mode="unpaired" fails
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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
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 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