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retrieve

Retrieve subcommands for protein-quest.

alphafold(alphafold_csv, output_dir, /, *, format_=None, db_version=None, gzip_files=False, all_isoforms=False, max_parallel_downloads=5, cache=None, _=None)

Retrieve AlphaFold files for IDs in CSV.

Retrieve AlphaFold files from the AlphaFold Protein Structure Database.

Parameters:

Name Type Description Default
alphafold_csv InputFile

CSV file with an af_id column, or with model_provider and model_identifier columns. When using model_provider, only rows with model_provider == 'alphafold' are used. Single-column CSV files are also accepted, and the first row is treated as an ID. Use - for stdin.

required
output_dir OutputDir

Directory to store downloaded AlphaFold files.

required
format_ Annotated[set[DownloadableFormat], Parameter(name=--format, negative='')] | None

Formats to retrieve. Defaults to [cif]. Repeat parameter for multiple formats, for example --format cif --format pdb.

None
db_version str | None

AlphaFold database version.

None
gzip_files Annotated[bool, Parameter(negative='')]

Gzip downloaded files.

False
all_isoforms Annotated[bool, Parameter(negative='')]

Return all isoforms.

False
max_parallel_downloads BatchSize

Maximum number of parallel downloads.

5
cache CacheParameter | None

Cache options including no_cache, cache_dir, and copy_method.

None
_ Common | None

Common CLI options.

None

emdb(emdb_csv, output_dir, /, *, cache=None, _=None)

Retrieve EMDB volume files for EMDB IDs in CSV.

Retrieve volume files from Electron Microscopy Data Bank (EMDB) website for unique EMDB IDs listed in a CSV file.

Parameters:

Name Type Description Default
emdb_csv InputFile

CSV file with emdb_id column. Other columns are ignored. Single-column CSV files are also accepted, and the first row is treated as an ID. Use - for stdin.

required
output_dir OutputDir

Directory to store downloaded EMDB volume files.

required
cache CacheParameter | None

Cache options including no_cache, cache_dir, and copy_method.

None
_ Common | None

Common CLI options.

None

pdbe(pdbe_csv, output_dir, /, *, archived=False, max_parallel_downloads=5, cache=None, _=None)

Retrieve mmCIF files from PDBe for PDB IDs in CSV.

Retrieve mmCIF files from Protein Data Bank in Europe Knowledge Base (PDBe) website for unique PDB IDs listed in a CSV file.

Parameters:

Name Type Description Default
pdbe_csv InputFile

CSV file with a pdb_id column, or with model_provider and model_identifier columns. When using model_provider, only rows with model_provider == 'pdbe' are used. Single-column CSV files are also accepted, and the first row is treated as an ID. Use - for stdin.

required
output_dir OutputDir

Directory to store downloaded PDBe mmCIF files.

required
archived Annotated[bool, Parameter(negative='')]

Retrieve archived versions. By default downloads an updated version of the PDB archive mmCIF format file. The updated version is generated with standardisation of vocabularies, and addition of connectivity information for every chemical compound present in the PDB entry.

False
max_parallel_downloads BatchSize

Maximum number of parallel downloads.

5
cache CacheParameter | None

Cache options including no_cache, cache_dir, and copy_method.

None
_ Common | None

Common CLI options.

None

structure(structures_csv, output_dir, /, *, raw=False, max_parallel_downloads=5, cache=None, _=None)

Retrieve structure files from search structure CSV output.

Retrieve structure files from model URLs listed in search structure CSV output.

Parameters:

Name Type Description Default
structures_csv InputFile

CSV file with provider, model_identifier, model_url, and model_format columns. Use - for stdin.

required
output_dir OutputDir

Directory to store retrieved structure files.

required
raw Annotated[bool, Parameter(negative='')]

Download in native format from CSV.

False
max_parallel_downloads BatchSize

Maximum number of parallel downloads.

5
cache CacheParameter | None

Cache options including no_cache, cache_dir, and copy_method.

None
_ Common | None

Common CLI options.

None