Struct AtomRecord 

pub struct AtomRecord {
    pub position: Option<[f32; 3]>,
    pub element: Element,
    pub atom_name: SymbolId,
    pub auth_atom_name: OptionalSymbol,
    pub alternate_component_id: OptionalSymbol,
    pub alt_id: AltId,
    pub residue: ResidueIndex,
    pub occupancy: (f32, Presence),
    pub b_factor: (f32, Presence),
    pub formal_charge: (i8, Presence),
    pub atom_site_id: u32,
}

One atom’s worth of everything a chunk stores.

Fields

position: Option<[f32; 3]>

The atom’s position, or None when the file did not record one.

element: Element

The element.

atom_name: SymbolId

The normalised atom name.

auth_atom_name: OptionalSymbol

The depositor’s atom name, where it differs or where the file carried it.

alternate_component_id: OptionalSymbol

A component identity differing from the residue’s primary identity.

This occurs when alternate conformations model different residue types. Absence means the residue table supplies the component identity.

alt_id: AltId

The alternate-location label.

residue: ResidueIndex

The residue this atom belongs to.

occupancy: (f32, Presence)

Occupancy, and whether it was recorded.

b_factor: (f32, Presence)

Temperature factor, and whether it was recorded.

formal_charge: (i8, Presence)

Formal charge, and whether it was recorded.

atom_site_id: u32

The file-local serial number, retained because other records cite it.

Trait Implementations

impl Clone for AtomRecord

fn clone(&self) -> Self

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Copy for AtomRecord

impl Debug for AtomRecord

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

Formats the value using the given formatter.