Several properties related to the atomic bonds and angles between them can be computed using I.S.A.A.C.S.
In I.S.A.A.C.S. the existence or the absence of a bond between two atoms i of species α and j of species β is determined by the analysis of the partial g_{αβ}(r) and total g(r) radial distribution functions.
Precisely the program will consider that a bond exists if the interatomic distance D_{ij} is smaller than both the cutoff given to desribe the maximum distance for first neighbor atoms between the species α and β, Rcut_{αβ} (often the first minimum of the partial radial distribution function g_{αβ}(r) ), and the first minimum of the total radial distribution function, Rcut_{tot}.
I.S.A.A.C.S. allows the user to specify both Rcut_{αβ} and Rcut_{tot} to choose an appropriate definition of the atomic bonds to described the system under study.
When atomic bonds in a model are defined properly other structural characteristics can be evaluated, as follows:
Average first coordination numbers
I.S.A.A.C.S. computes total as well as partials coordinations numbers.
Figure 1: Coordination numbers.
Individual atomic neighbor analysis
I.S.A.A.C.S. computes the fraction of each type of first coordination spheres occurring in the model.
The presence of of structural deffects can lead to a wide number of local structural environments, figure [Fig. 2] illustrates the differents first coordination spheres that can be found in a GeS_{2} glass.
Figure 2: Illustration of several coordination spheres that can be found in glassy GeS_{2}.
Proportion of tetrahedral links and units in the structure model
Often the structure of a material is represented using building blocks.
One of the the most frecuently occuring building blocks are tetrahedra.
Figure [Fig. 3] shows a model of GeS_{2} materials using GeS_{4} tetrahedra as building blocks.
Figure 3: Illustration of the presence of GeS_{4} tetrahedra in the GeS_{2} material's family.
a) GeS_{4} tetrahedra, representations b) of the αGeS_{2} crystal and c) of the GeS_{2} glass using tetrahedra.
I.S.A.A.C.S. computes the fraction of the differents tetrahedra in materials, the distinction between these tetrahedra being made on the nature of the connection between each of them.
Tetrahedra can be linked either by corners [Fig. 4] or edges [Fig. 5], I.S.A.A.C.S. computes the fraction of atoms forming tetrahedra as well as to the fraction of linked tetrahedra.
Figure 4: Corner sharing tetrahedra. 
Figure 5: Edge sharing tetrahedra. 
Distribution of bond lengths for the first coordination sphere
Figure 6: Nearest neighbor distances distribution.
Angles distribution
Using I.S.A.A.C.S. it is very easy to compute bond angles [Fig. 7] and dihedral angles [Fig. 8] distributions:
