residues

Filter structure files by number of residues.

ResidueFilterStatistics dataclass

Statistics for filtering files based on residue count in a specific chain.

Parameters:

Name	Type	Description	Default
input_file	Path	The path to the input file.	required
residue_count	int	The number of residues.	required
passed	bool	Whether the file passed the filtering criteria.	required
output_file	Path | None	The path to the output file, if passed.	required

filter_files_on_residues(input_files, output_dir, min_residues, max_residues, chain='A', copy_method='copy')

Filter PDB/mmCIF files by number of residues in given chain.

Parameters:

Name	Type	Description	Default
input_files	list[Path]	The list of input PDB/mmCIF files.	required
output_dir	Path	The directory where the filtered files will be written.	required
min_residues	int	The minimum number of residues in chain.	required
max_residues	int	The maximum number of residues in chain.	required
chain	str	The chain to count residues of.	'A'
copy_method	CopyMethod	The method used to copy passed files to the output directory.	'copy'

Yields:

Type	Description
Generator[ResidueFilterStatistics]	Objects containing information about the filtering process for each input file.