Struct BiologicalAssembly 

pub struct BiologicalAssembly {
    pub id: u32,
    pub chains: Vec<AssemblyChain>,
}

A biological assembly: one or more copies of the asymmetric unit arranged by crystallographic symmetry.

Fields

id: u32

Assembly number (as in REMARK 350).

chains: Vec<AssemblyChain>

All chains in this assembly.

Implementations

impl BiologicalAssembly

pub fn from_model_with_identity(model: &PdbModel, id: u32) -> Self

Build a biological assembly from a PdbModel using the identity transform.

pub fn apply_transform(&self, m: &[[f64; 4]; 3]) -> Self

Apply a 4×3 rotation-translation matrix to all atoms.

Matrix format: [[r00,r01,r02,tx\],[r10,r11,r12,ty],[r20,r21,r22,tz]]

pub fn total_atoms(&self) -> usize

Total number of atoms across all chains.

pub fn chain_ids(&self) -> Vec<char>

All chain IDs present.

Trait Implementations

impl Clone for BiologicalAssembly

fn clone(&self) -> BiologicalAssembly

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for BiologicalAssembly

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

Formats the value using the given formatter.