Script to download or update SIMBAD-related databases
ContaminantSearchResult
(pdb_code, space_group, uniprot_name, uniprot_mnemonic)[source]¶Bases: object
A basic contabase storing class
pdb_code
¶space_group
¶uniprot_mnemonic
¶uniprot_name
¶create_contaminant_db
(database, add_morda_domains, nproc=2, submit_qtype=None, submit_queue=False)[source]¶Create a contaminant database
Parameters: | database : str
add_morda_domains : bool
nproc : int, optional
submit_qtype : str
submit_queue : str
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Raises: | RuntimeError
RuntimeError
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create_db_custom
(custom_db, database)[source]¶Create custom database
Parameters: | custom_db : str
database : str
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Raises: | RuntimeError
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create_lattice_db
(database)[source]¶Create a lattice search database
Parameters: | database : str
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create_morda_db
(database, nproc=2, submit_qtype=None, submit_queue=False, chunk_size=5000)[source]¶Create the MoRDa search database
Parameters: | database : str
nproc : int, optional
submit_qtype : str
submit_queue : str
chunk_size : int, optional
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Raises: | RuntimeError
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