Enum Record

pub enum Record {
    Anisou(AnisotropicRecord),
    Atom(AtomRecord),
    Connect(ConnectRecord),
    Crystal(CrystalRecord),
    DBRef(DBRefRecord),
    Het(HetRecord),
    Hetatm(AtomRecord),
    Hetnam(HetnamRecord),
    Nummdl(NummdlRecord),
    MtrixN(MtrixN),
    Model(ModelRecord),
    Modres(ModresRecord),
    OrigxN(OrigxN),
    ScaleN(ScaleN),
    Seqres(SeqresRecord),
    Seqadv(SeqAdvRecord),
    Term(TermRecord),
    Endmdl(),
}

Represents all supported PDB record types.

This enum encompasses all the different types of records that can be found in a PDB file. Each variant contains the specific data structure for that record type.

Record Types

• Anisou - Anisotropic temperature factor records
• Atom - Standard atom coordinate records
• Connect - Connectivity records showing bonds between atoms
• Crystal - Crystallographic unit cell parameters
• DBRef - Database reference records
• Het - Hetero-compound records
• Hetatm - Hetero-atom coordinate records (uses same structure as Atom)
• Hetnam - Hetero-compound name records
• Nummdl - Number of models in the file
• MtrixN - Transformation matrix records (N = 1, 2, or 3)
• Model - Model records for multi-model structures
• Modres - Modified residue records
• OrigxN - Original coordinate system transformation (N = 1, 2, or 3)
• ScaleN - Scale matrix records (N = 1, 2, or 3)
• Seqres - Residue sequence records
• Seqadv - Sequence differences from database
• Term - Chain termination records
• Endmdl - End of model marker (no associated data)

Example

use knuckles_parse::records::Record;

let line = "ATOM      1  N   ALA A   1      20.154  16.967  27.462  1.00 11.18           N";
let record = Record::try_from(line).unwrap();

match record {
    Record::Atom(atom) => println!("Found atom: {}", atom.name),
    Record::Hetatm(hetatm) => println!("Found hetatm: {}", hetatm.name),
    _ => println!("Other record type"),
}

Variants

Anisou(AnisotropicRecord)

Anisotropic temperature factor record

Atom(AtomRecord)

Standard atom coordinate record

Connect(ConnectRecord)

Connectivity record showing bonds between atoms

Crystal(CrystalRecord)

Crystallographic unit cell parameters

DBRef(DBRefRecord)

Database reference record

Het(HetRecord)

Hetero-compound record

Hetatm(AtomRecord)

Hetero-atom coordinate record (same structure as Atom)

Hetnam(HetnamRecord)

Hetero-compound name record

Nummdl(NummdlRecord)

Number of models record

MtrixN(MtrixN)

Transformation matrix record (MTRIX1, MTRIX2, or MTRIX3)

Model(ModelRecord)

Model record for multi-model structures

Modres(ModresRecord)

Modified residue record

OrigxN(OrigxN)

Original coordinate system transformation (ORIGX1, ORIGX2, or ORIGX3)

ScaleN(ScaleN)

Scale matrix record (SCALE1, SCALE2, or SCALE3)

Seqres(SeqresRecord)

Residue sequence record

Seqadv(SeqAdvRecord)

Sequence differences from database

Term(TermRecord)

Chain termination record

Endmdl()

End of model marker

Trait Implementations

impl Debug for Record

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

Formats the value using the given formatter.

impl Display for Record

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

Formats the value using the given formatter.

impl TryFrom<&str> for Record

fn try_from(line: &str) -> Result<Self, Self::Error>

Parse a PDB line into the appropriate Record variant.

This method examines the first 6 characters of the line to determine the record type and then delegates to the appropriate record-specific parser.

Arguments

• line - A single line from a PDB file

Returns

• Ok(Record) - Successfully parsed record
• Err(&'static str) - Error message if parsing failed

Errors

Returns an error if:

• The line is shorter than 6 characters
• The record type is not recognized
• The line format is invalid for the detected record type

Example

use knuckles_parse::records::Record;

let line = "ATOM      1  N   ALA A   1      20.154  16.967  27.462  1.00 11.18           N";
let record = Record::try_from(line).unwrap();

type Error = &'static str

The type returned in the event of a conversion error.