Function list_interface

Source
pub fn list_interface(pdb: PDB, cutoff: &f64) -> Result<(), Box<dyn Error>>
Expand description

Lists the interface residues for each chain in a protein structure.

This function analyzes a PDB file to identify the interface residues between chains based on a specified distance cutoff, and prints the results.

§Arguments

  • input_file - A string slice that holds the path to the input PDB file.
  • cutoff - A reference to a f64 value specifying the distance cutoff (in Angstroms) for determining interface residues.

§Returns

A Result<(), Box<dyn Error>> which is Ok(()) if the function completes successfully, or an Error if something goes wrong.