Function unambig_ti 

pub fn unambig_ti(
    pdb: PDB,
    cutoff: &f64,
    pml: &Option<String>,
) -> Result<String, Box<dyn Error>>

Generates Unambiguous Topological Interactions (TIs) from a protein structure.

This function reads a PDB file, identifies the closest residue pairs based on a specified distance cutoff, and creates unambiguous interactors for each residue pair.

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 interactions.

Returns

A Result<String, Box> containing the generated TBL (Topological Restraints List) if successful.