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pub mod anisou;
pub use anisou::Anisou;
pub mod atom;
pub use atom::{Atom, AtomName};
pub mod element;
pub use element::Element;
pub mod model;
pub use model::Model;
pub mod secondary_structure;
pub use secondary_structure::{Helix, HelixClass, Registration, Sense, Sheet, Strand};
pub mod serial;
pub use serial::*;
pub mod residue;
pub use residue::{
AminoAcid, ModifiedAminoAcid, ModifiedNucleotide, Molecule, Monomer, Nucleotide, Residue,
StandardAminoAcid, StandardNucleotide,
};
pub mod chain;
pub use chain::Chain;
pub type Connect = [AtomSerial; 2];
use serde::Serialize;
use std::collections::HashMap;
use crate::metadata::Metadata;
#[derive(Debug, Clone, Serialize)]
pub struct Ssbond {
pub a: (char, ResidueSerial),
pub b: (char, ResidueSerial),
}
#[derive(Debug, Clone, Serialize, Default)]
pub struct Structure {
pub chains_aa: Vec<Chain<AminoAcid>>,
pub chains_nuc: Vec<Chain<Nucleotide>>,
pub helices: Vec<Helix>,
pub sheets: Vec<Sheet>,
pub ssbonds: Vec<Ssbond>,
pub modified_aa: HashMap<String, ModifiedAminoAcid>,
pub modified_nuc: HashMap<String, ModifiedNucleotide>,
pub connect: Vec<Connect>,
pub models: Vec<Model>,
pub metadata: Option<Metadata>,
}