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Error: Could not find HHBlits database #191

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@theabhirath

Hi, we are trying to use your package and are encountering an error when trying out an example. On running the command:

create_individual_features.py \
--fasta_paths=baits.fasta,example_1_sequences_shorter.fasta \
--data_dir=/home/balakumaran.c/alphafold_database/ \
--mgnify_database_path=/home/balakumaran.c/alphafold_database/mgnify/mgy_clusters_2018_12.fa \
--output_dir=/home/balakumaran.c/alphapulldown/output/ \
--save_msa_files=False \
--use_precomputed_msas=False \
--max_template_date="2022-03-30" \
--skip_existing=True \

We are encountering the following error: ValueError: Could not find HHBlits database /home/balakumaran.c/alphafold_database/uniref30/UniRef30_2021_03. The full error file is attached below.

Our database follows the format for the AlphaFold 2.3.0 database:

alphafold_database
|-- bfd
|-- mgnify
|-- params
|-- pdb70
|-- pdb_mmcif
|   `-- mmcif_files
|-- pdb_seqres
|-- small_bfd
|-- uniclust30
|   `-- uniclust30_2018_08
|-- uniprot
|-- uniref30
|   `-- UniRef30_2021_03
`-- uniref90

and so I am uncertain about what the error could be. Could you please help me with the same?

The code is being run on a cluster on a GPU node with Red Hat Enterprise (Kernel Linux 3.10.0-327.el7.x86_64). The GPU is a Tesla K40m.

Thanks,
Abhirath.

output.txt

Activity

  1. dingquanyu commented on Oct 25, 2023

    @dingquanyu
    Collaborator

    Hi

    Thanks for your interest in our package. There should be 7 files under the uniclust30 subfolder. Could you please double check the requirements by AlphaFold? Since this is irrelevant to the package itself, it will be moved to the discussion section.

  2. locked and limited conversation to collaborators on Oct 25, 2023
  3. converted this issue into a discussion #192 on Oct 25, 2023
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