/** * @file Validation * @author Alexander Rose * @private */ import { Color } from 'three'; import { ClashPicker } from '../utils/picker'; import Structure from '../structure/structure'; declare class Validation { readonly name: string; readonly path: string; rsrzDict: { [k: string]: number; }; rsccDict: { [k: string]: number; }; /** * 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/ */ rciDict: { [k: string]: number; }; clashDict: { [k: string]: { [k: string]: string; }; }; clashArray: { [k: string]: string; }[]; geoDict: { [k: string]: number; }; geoAtomDict: { [k: string]: { [k: string]: number; }; }; atomDict: { [k: string]: boolean | number; }; clashSele: string; constructor(name: string, path: string); get type(): string; fromXml(xml: XMLDocument): void; getClashData(params: { color: number | string | Color; structure: Structure; }): { position1: Float32Array; position2: Float32Array; color: Float32Array; color2: Float32Array; radius: Float32Array; picking: ClashPicker; }; } export default Validation;