What is the I.S.A.A.C.S. program ?

The I.S.A.A.C.S. suit of programs "Interactive Structrue Analysis of Amorphous and Crystalline Systems" computes structural characteristics of 3D atomic models for crystalline and amorphous systems.
I.S.A.A.C.S. is written in Fortran90, C and GTK+, and works under Linux, MacOSX (Intel) and Windows (XP, Vista) platforms.

What are the main features of I.S.A.A.C.S. ?

Several structrural characteristics may be computed by I.S.A.A.C.S. inclusing radial distribution functions, atomic coordination numbers, model free volume and density, bond angle distributions, rings statistics, spherical harmonic invariants and bond valence sums. The program is run via a graphical interface allowing the user to input data in an intuitive way and easily visualize/save the computed characteristics.


An article describing the I.S.A.A.C.S. program and its features has been published in the Journal of Applied Crystallography.
Users who consider to use I.S.A.A.C.S. for research purposes should refer to this publication:

S. Le Roux and V. Petkov. J. Appl. Cryst., 43:181-185 (2010).

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