The program package for multipurpose geometrical
and topological analysis of crystal structures
In this new ToposPro website we offer the
following products and services:

Free download ToposPro
Buy topological databases

ToposPro is free of charge for academic institutions. Commercial organizations must buy a license.

Latest version:
Release date: 9 September 2016

  System Requirements

Windows 10, 8.1, 8, 7, Vista and XP.
Including both 32-bit and 64-bit

For academic institutions

Free download

For commercial use

Buy a license


ToposPro is a program package for comprehensive analysis of geometrical and topological properties of periodic structures (crystals, networks, tilings). ToposPro was tailored to process large samples of crystallographic data and to find correlations between structure parameters. The ToposPro software includes Database Management System and a number of applied programs and procedures, many of which realize unique algorithms of crystal structure analysis. The ToposPro Topological Collections contain a large set of databases on geometrical and topological properties of atoms, molecules, structural units, periodic networks, tilings, entanglements, and other finite and infinite crystal architectures. With ToposPro you may explore any kind of crystal structure and solve many important tasks of crystal chemistry, structural chemistry, and materials science.




Constructs Voronoi polyhedra of atoms and computes a lot of their geometrical and topological parameters.


Computes interatomic distances, bond angles and geometrical fingerprints for crystal structures.


Determines positions of hydrogen atoms, which have not been localized in crystal-structural experiment.


Automatically tests crystal structures on isotypism (topological similarity) and determines the degree of their similarity.


Computes the adjacency matrix of crystal structure, determines types of interatomic interactions (valence, H-bond, specific, van der Waals).


Realizes a number of standard statistical methods for processing the data obtained with the Dirichlet, ADS and DiAn programs.


Computes topological parameters of atomic and molecular networks, performs topological classification, determines structural groups, builds tilings.


Computes interatomic distances, bond angles and geometrical fingerprints for crystal structures.

Topological databases


Topos Topological Database
Collection contains the information on topological types of simple periodic nets and finite graphs. The TTD collection is used for automatic determination and classification of topologies.

Topological Types of Molecules
Is a large database of molecules, their, forms, and types of connection in crystals.

Topological Types of Nanoclusters
Contains the data on chemical composition, topological structure and methods of connection of polyshell nanoclusters in intermetallic compounds.

Topological Types of Ligands
Is a comprehensive storage of ligands and their coordination modes in mononuclear, polynuclear and polymeric coordination compounds.
$ 99
Single user only

Buy now

$ 149
Single user only

Buy now

$ 149
Single user only

Buy now

$ 149
Single user only

Buy now

You can also buy other databases or collect databases to obtain a discount.

Questions? We have answers