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

hhblits_fullQT_RSC30_1.txt

Contributor guide

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First steps

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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

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