sokrypton / sokrypton/ColabFold
using MSA from HHblits
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Description
## Expected Behavior
Trying to use the custom MSA option using HHBlits (https://toolkit.tuebingen.mpg.de/jobs/RSC30_1).
I followed the instructions and downloaded the a3m file
ColabFold input
sequence:
MMDMQVRKVRKPPACTQCRKRKIGCDRAKPICGNCVKYNKPDCFYPDGPGKMVAVPSASGMSTHGNGQGSNHFSQGNGVNQKNVMIQTQYPIMQTSIEAFNFSFNPSVDTAMQWTKAASYQNNNTNNNTAPRQNSSTVSSNVHGNTIVRSDSPDVPSMDQIREYNTRLQLVNAQSFDYTDNPYSFNVGINQDSAVFDLMTSPFTQEEVLIKEIDFLKNKLLDLQSLQLKSLKEKSNLNADNTTANKINKTGENSKKGKVDGKRAGFDHQTSRTSQSSQKYFTALTITDVQSLVQVKPLKDTPNYLFTKNFIIFRDHYLFKFYNILHDICHINQFKVSPPNNKNHQQYMEVCKVNFPPKAIIIETLNSESLNNLNIEEFLPIFDKTLLLEFVHNSFPNGDTCPSFSTVDLPLSQLTKLGELTVLLLLLNDSMTLFNKQAINNHVSALMNNLRLIRSQITLINLEYYDQETIKFIAITKFYESLYMHDDHKSSLDEDLSCLLSFQIKDFKLFHFLKKMYYSRHSLLGQSSFMVPAAENLSPIPASIDTNDIPLIANDLKLLETQAKLINILQGVPFYLPVNLTKIESLLETLTMGVSNTVDLYFHDNEVRKEWKDTLNFINTIVYTNFFLFVQNESSLSMAVQHSSNNNKTSNSERCAKDLMKIISNMHIFYSITFNFIFPIKSIKSFSSGNNRFHSNGKEFLFANHFIEILQNFIAITFAIFQRCEVILYDEFYKNLSNEEINVQLLLIHDKILEILKKIEIIVSFLRDEMNSNGSFKSIKGFNKVLNLIKYMLRFSKKKQNFARNSDNNNVTDYSQSAKNKNVLLKFPVSELNRIYLKFKEISDFLMEREVVQRSIIIDKDLESDNLGITTANFNDFYDAFYN
a3m file attached
ColabFold Output (for bugs)
2022-01-03 12:51:39,739 Running colabfold 1.2.0 (f5d0cec9e4045666cb615ec9ad89b3bdc1ecda62)
2022-01-03 12:51:39,742 Found 4 citations for tools or databases
2022-01-03 12:51:48,037 Query 1/1: testRSC30_d0060.custom (length 883)
2022-01-03 12:51:48,043 Could not generate input features testRSC30_d0060.custom: list index out of range
Traceback (most recent call last):
File "/usr/local/lib/python3.7/dist-packages/colabfold/batch.py", line 1046, in run
model_type,
File "/usr/local/lib/python3.7/dist-packages/colabfold/batch.py", line 757, in generate_input_feature
sequence, input_msa, template_features[sequence_index]
File "/usr/local/lib/python3.7/dist-packages/colabfold/batch.py", line 624, in build_monomer_feature
msa = pipeline.parsers.parse_a3m(unpaired_msa)
File "/usr/local/lib/python3.7/dist-packages/alphafold/data/parsers.py", line 170, in parse_a3m
sequences, descriptions = parse_fasta(a3m_string)
File "/usr/local/lib/python3.7/dist-packages/alphafold/data/parsers.py", line 89, in parse_fasta
sequences[index] += line
IndexError: list index out of range
2022-01-03 12:51:48,043 Done
Your Environment
AlphaFold2 Colab notebook
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 colabfold/batch.py at build_monomer_feature and generate_input_feature, then inspect alphafold/data/parsers.py: parse_a3m and the attached hhblits output. Reproduce the custom-MSA run and determine why the A3M parser reaches an invalid sequence index. Done means the supplied HHblits A3M is accepted and feature generation completes without the IndexError.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- jupyter-notebook, python
- Domain
- bioinformatics
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 42/100