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Class Validation

Hierarchy

  • Validation

Index

Constructors

constructor

  • new Validation(name: string, path: string): Validation

Properties

atomDict

atomDict: {}

Type declaration

  • [k: string]: boolean | number

clashArray

clashArray: {}[] = []

clashDict

clashDict: {}

Type declaration

  • [k: string]: {}
    • [k: string]: string

clashSele

clashSele: string = "NONE"

geoAtomDict

geoAtomDict: {}

Type declaration

  • [k: string]: {}
    • [k: string]: number

geoDict

geoDict: {}

Type declaration

  • [k: string]: number

name

name: string

path

path: string

rciDict

rciDict: {}

Random Coil Index (RCI) - evaluates the proximity of residue structural and dynamic properties to the properties of flexible random coil regions from NMR chemical shifts.

Mark V. Berjanskii and David S. Wishart (2005) A Simple Method To Predict Protein Flexibility Using Secondary Chemical Shifts J. Am. Chem. Soc., 2005, 127 (43), pp 14970–14971 http://pubs.acs.org/doi/abs/10.1021/ja054842f

Mark V. Berjanskii and David S. Wishart (2008) Application of the random coil index to studying protein flexibility. J Biomol NMR. 2008 Jan;40(1):31-48. Epub 2007 Nov 6. http://www.springerlink.com/content/2966482w10306126/

Type declaration

  • [k: string]: number

rsccDict

rsccDict: {}

Type declaration

  • [k: string]: number

rsrzDict

rsrzDict: {}

Type declaration

  • [k: string]: number

Accessors

type

  • get type(): string

Methods

fromXml

  • fromXml(xml: XMLDocument): void

getClashData

  • getClashData(params: { color: number | string | Color; structure: Structure }): { color: Float32Array; color2: Float32Array; picking: ClashPicker; position1: Float32Array; position2: Float32Array; radius: Float32Array }
  • Parameters

    • params: { color: number | string | Color; structure: Structure }
      • color: number | string | Color
      • structure: Structure

    Returns { color: Float32Array; color2: Float32Array; picking: ClashPicker; position1: Float32Array; position2: Float32Array; radius: Float32Array }

    • color: Float32Array
    • color2: Float32Array
    • picking: ClashPicker
    • position1: Float32Array
    • position2: Float32Array
    • radius: Float32Array

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