Struct PdbAtom 

pub struct PdbAtom {
    pub serial: u32,
    pub name: String,
    pub res_name: String,
    pub chain_id: char,
    pub res_seq: i32,
    pub x: f64,
    pub y: f64,
    pub z: f64,
    pub occupancy: f64,
    pub temp_factor: f64,
    pub element: String,
}

Data from a single ATOM or HETATM record in a PDB file.

Fields

serial: u32

Atom serial number.

name: String

Atom name field (e.g., “CA”, “ N “, “OXT”).

res_name: String

Residue name (e.g., “ALA”).

chain_id: char

Chain identifier.

res_seq: i32

Residue sequence number.

x: f64

Cartesian X coordinate (angstroms).

y: f64

Cartesian Y coordinate (angstroms).

z: f64

Cartesian Z coordinate (angstroms).

occupancy: f64

Occupancy factor.

temp_factor: f64

Temperature factor (B-factor).

element: String

Element symbol (right-justified, 2 chars in PDB; stored trimmed here).

Trait Implementations

impl Clone for PdbAtom

fn clone(&self) -> PdbAtom

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for PdbAtom

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.