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clean_structure

Function clean_structure 

Source
pub fn clean_structure(
    structure: &mut Structure,
    config: &CleanConfig,
) -> Result<(), Error>
Expand description

Applies the cleaning rules to a mutable structure in-place.

Hydrogens can be stripped prior to solvation or protonation, and residues matching the configured filters are removed with chain bookkeeping handled automatically.

§Arguments

  • structure - Mutable structure that will be filtered.
  • config - Cleaning switches describing which components to remove or keep.

§Returns

Ok(()) when the structure is processed successfully.

§Errors

Currently never returns Error variants but reserves the signature for future validation failures to stay compatible with other ops APIs.