openchemlib-utils
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    Function getPathAndTorsion

    • Calculates the path between 2 atoms

      Parameters

      • molecule: Molecule
      • from: number

        index of the first atom

      • to: number

        index of the end atom

      • maxLength: number

        maximal length of the path

      Returns {
          atoms: any[];
          from: number;
          length: number;
          to: number;
          torsion: undefined | number;
      }