Expand description
§cealign
A Rust implementation of the Combinatorial Extension (CE) algorithm for protein structure alignment.
§Quick start
let (mobile, _) = pdbtbx::open("mobile.pdb").unwrap();
let (target, _) = pdbtbx::open("target.pdb").unwrap();
let (_aligned_mobile, _reference, rmsd, n_aligned) = cealign::ce::align(mobile, target, false);
println!("{:.3} Å over {} residues", rmsd, n_aligned);