react-ngl
Version:
React wrapper for ngl
72 lines (71 loc) • 1.99 kB
TypeScript
/**
* @file Validation
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @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;