chain
Filter structure files by chain.
filter_files_on_chain(file2chains, output_dir, out_chain='A', scheduler_address=None, copy_method='copy')
Filter mmcif/PDB files by chain.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
file2chains
|
Collection[tuple[Path, str]]
|
Which chain to keep for each PDB file. First item is the PDB file path, second item is the chain ID. |
required |
output_dir
|
Path
|
The directory where the filtered files will be written. |
required |
out_chain
|
str
|
Under what name to write the kept chain. |
'A'
|
scheduler_address
|
str | Cluster | Literal['sequential'] | None
|
The address of the Dask scheduler.
If not provided, will create a local cluster.
If set to |
None
|
copy_method
|
CopyMethod
|
How to copy when a direct copy is possible. |
'copy'
|
Returns:
| Type | Description |
|---|---|
list[ChainFilterStatistics]
|
Result of the filtering process. |