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Class ResidueType

Residue type

Hierarchy

  • ResidueType

Index

Constructors

Properties

Methods

Constructors

constructor

  • Parameters

    • structure: Structure

      the structure object

    • resname: string

      name of the residue

    • atomTypeIdList: number[]

      list of IDs of AtomTypes corresponding to the atoms of the residue

    • hetero: boolean

      hetero flag

    • chemCompType: string

      chemical component type

    • Optional bonds: ResidueBonds

    Returns ResidueType

Properties

Optional aromaticAtoms

aromaticAtoms: Uint8Array

Optional aromaticRings

aromaticRings: number[][]

atomCount

atomCount: number

atomTypeIdList

atomTypeIdList: number[]

backboneEndAtomIndex

backboneEndAtomIndex: number

backboneEndType

backboneEndType: number

backboneIndexList

backboneIndexList: number[]

backboneStartAtomIndex

backboneStartAtomIndex: number

backboneStartType

backboneStartType: number

backboneType

backboneType: number

Optional bondGraph

bondGraph: BondGraph

bondReferenceAtomIndices

bondReferenceAtomIndices: number[] = []

Optional bonds

bonds: ResidueBonds

chemCompType

chemCompType: string

direction1AtomIndex

direction1AtomIndex: number

direction2AtomIndex

direction2AtomIndex: number

hetero

hetero: number

moleculeType

moleculeType: number

resname

resname: string

Optional rings

rings: RingData

rungEndAtomIndex

rungEndAtomIndex: number

structure

structure: Structure

the structure object

traceAtomIndex

traceAtomIndex: number

Methods

assignBondReferenceAtomIndices

  • assignBondReferenceAtomIndices(): void

calculateAromatic

calculateBondGraph

  • calculateBondGraph(): void

calculateRings

  • calculateRings(): void

getAromatic

  • getAromatic(a?: AtomProxy): undefined | Uint8Array

getAromaticRings

  • getAromaticRings(r?: ResidueProxy): undefined | number[][]

getAtomIndexByName

  • getAtomIndexByName(atomname: string | string[]): undefined | number

getBackboneIndexList

  • getBackboneIndexList(): number[]

getBackboneType

  • getBackboneType(position: number): 1 | 0 | 4 | 2 | 3 | 6 | 5

getBondGraph

getBondIndex

  • getBondIndex(atomIndex1: number, atomIndex2: number): undefined | number

getBondReferenceAtomIndex

  • getBondReferenceAtomIndex(atomIndex1: number, atomIndex2: number): undefined | number

getBonds

getMoleculeType

  • getMoleculeType(): 1 | 0 | 4 | 2 | 3 | 6 | 5

getRings

hasAtomWithName

  • hasAtomWithName(...atomnames: (string | string[])[]): boolean

hasBackbone

  • hasBackbone(position: number): boolean

hasBackboneAtoms

  • hasBackboneAtoms(position: number, type: number): boolean

hasCgDnaBackbone

  • hasCgDnaBackbone(position: number): boolean

hasCgProteinBackbone

  • hasCgProteinBackbone(position: number): boolean

hasCgRnaBackbone

  • hasCgRnaBackbone(position: number): boolean

hasDnaBackbone

  • hasDnaBackbone(position: number): boolean

hasProteinBackbone

  • hasProteinBackbone(position: number): boolean

hasRnaBackbone

  • hasRnaBackbone(position: number): boolean

isAromatic

isCg

  • isCg(): boolean

isDna

  • isDna(): boolean

isHetero

  • isHetero(): boolean

isIon

  • isIon(): boolean

isNucleic

  • isNucleic(): boolean

isProtein

  • isProtein(): boolean

isRna

  • isRna(): boolean

isSaccharide

  • isSaccharide(): boolean

isStandardAminoacid

  • isStandardAminoacid(): boolean

isStandardBase

  • isStandardBase(): boolean

isWater

  • isWater(): boolean

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