Struct PdbHeaders 

pub struct PdbHeaders { /* private fields */ }

Every metadata record in archive order.

Implementations

impl PdbHeaders

pub fn mtrix(&self) -> Vec<Mtrix>

The MTRIX operators in deposited order.

A serial that lacks any of its three rows is dropped rather than completed with zeros: a partial matrix would silently collapse atoms.

impl PdbHeaders

pub fn is_empty(&self) -> bool

Whether no metadata records were deposited.

pub fn records(&self) -> &[PdbHeaderRecord]

All metadata records in archive order.

pub fn named<'a>( &'a self, name: &'a str, ) -> impl Iterator<Item = &'a PdbHeaderRecord>

Records of one type, retaining their archive order.

pub fn classification(&self) -> Option<&str>

Classification from columns 11–50 of HEADER.

pub fn deposition_date(&self) -> Option<&str>

Deposition date from columns 51–59 of HEADER.

impl PdbHeaders

pub fn resolution(&self) -> Option<f64>

The resolution in ångström that REMARK 2 deposits, when it gives one.

pub fn missing_residues(&self) -> Vec<MissingResidue>

The residues REMARK 465 lists as missing from the model.

pub fn biomolecules(&self) -> Vec<Biomolecule>

The biological assemblies REMARK 350 defines.

impl PdbHeaders

pub fn seqres(&self) -> Vec<SeqRes>

The SEQRES residue sequences, one per chain in first-appearance order.

pub fn ssbonds(&self) -> Vec<SsBond>

The SSBOND disulfide bonds, in deposited order.

pub fn links(&self) -> Vec<Link>

The LINK records, in deposited order.

Trait Implementations

impl Clone for PdbHeaders

fn clone(&self) -> Self

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for PdbHeaders

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

Formats the value using the given formatter.

impl Default for PdbHeaders

fn default() -> Self

Returns the “default value” for a type.

impl Eq for PdbHeaders

impl PartialEq for PdbHeaders

fn eq(&self, other: &Self) -> bool

Equality operator ==.

fn ne(&self, other: &Rhs) -> bool

Inequality operator !=.

impl StructuralPartialEq for PdbHeaders