ChemPal Documentation - v1.12.0
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    Interface MoleculeAtom

    A single atom from an SDF atom block.

    export interface MoleculeAtom {
    /** Element symbol as written in the record, e.g. `'C'` or `'Cl'`. */
    symbol: string;
    /** Cartesian coordinates in angstroms. `z` is 0 throughout a 2D record. */
    x: number;
    y: number;
    z: number;
    }
    interface MoleculeAtom {
        symbol: string;
        x: number;
        y: number;
        z: number;
    }
    Index

    Properties

    Properties

    symbol: string

    Element symbol as written in the record, e.g. 'C' or 'Cl'.

    x: number

    Cartesian coordinates in angstroms. z is 0 throughout a 2D record.

    y: number
    z: number