extern crate openbabel; use openbabel::fingerprint::Kind; fn main() { let fpk = Kind::ECFP4 { nbits: 4096 }; let mol = openbabel::molecule::Molecule::new_from_smiles("c1ccccc1"); let fpg = openbabel::fingerprint::FingerprintGenerator::new(fpk); let fpd = fpg.get_fingerprint(&mol); println!("ECFP for mole c1ccccc1: {:?}", fpd); }