filter
run_filter(session_dir, /, *, options=None, cache=None, scheduler_address=None, _=None)
Filter structure files based on specified parameters.
Steps:
- Verify expected uniprot accessions are in structure files and inject uniprot accession if missing. See protein-quest convert structure --uniprots.
- Convert PDBe structure files to single chain structure files. See protein-quest filter chain.
- Filters processed PDBe structure files and AlphaFold structure files based on given parameters. See protein-quest filter combined.
- If secondary structure options are given then filters passed structure files based on secondary structure. See protein-quest filter secondary-structure.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
session_dir
|
Annotated[Path, Parameter(validator=Path(file_okay=False, dir_okay=True, exists=True))]
|
Directory where the structure files are located. |
required |
options
|
FilterOptions | None
|
The filtering options. |
None
|
cache
|
CacheParameter | None
|
Cache options including no_cache, cache_dir, and copy_method. |
None
|
scheduler_address
|
str | None
|
Address of the Dask scheduler to connect to.
If not provided, will create a local cluster.
If set to |
None
|
_
|
Common | None
|
Common CLI options. |
None
|