Residue-selection utilities for Neurosnap structures.
- neurosnap.structure.selectors.select_residues(structure, selectors, invert=False)[source]#
Select residues from a structure using a chain/residue selector string.
- Supported selector forms include:
"A"for an entire chain"A10"or"A10-20"for compact single-character chain selectors"AB:10"or"AB:10-20"for multi-character chain IDs
- Parameters:
structure (
Structure) – Input single-modelStructure.selectors (
str) – Comma-delimited selector string.invert (
bool) – Whether to invert the selection within each chain.
- Return type:
Dict[str,List[int]]- Returns:
Dictionary mapping chain IDs to sorted residue numbers.