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Class ElectrostaticColormaker

Color a surface by electrostatic charge. This is a highly approximate calculation! The partial charges are CHARMM with hydrogens added to heavy atoms and hydrogen positions generated for amides.

Name: electrostatic

example

stage.loadFile( "rcsb://3dqb" ).then( function( o ){ o.addRepresentation( "surface", { colorScheme: "electrostatic" } ); o.autoView(); } );

Hierarchy

Index

Constructors

constructor

Properties

atomProxy

atomProxy: AtomProxy

charges

charges: Float32Array

delta

delta: Vector3 = new Vector3()

hCharges

hCharges: number[] = []

hHash

hStore

hStore: { count: number; x: Float32Array; y: Float32Array; z: Float32Array }

Type declaration

  • count: number
  • x: Float32Array
  • y: Float32Array
  • z: Float32Array

hash

parameters

scale

Methods

Optional atomColor

atomColorToArray

bondColor

  • bondColor(bond: BondProxy, fromTo: boolean): number

bondColorToArray

colorToArray

generateColors

getScale

Optional monomerBondColor

monomerBondColorToArray

Optional monomerColor

monomerColorToArray

positionColor

  • positionColor(v: Vector3): number

positionColorToArray

Optional volumeColor

  • volumeColor(index: number): number

volumeColorToArray

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