A comprehensive system for geometrical
and topological analysis of crystal structures
On this new ToposPro website we offer the
following products and services:

Software
 
Databases
 
Consulting

ToposPro software is free for non-commercial use. If you are going to use ToposPro for commercial purposes you have to buy a license for commercial use.
  


FREE service for determining the underlying topology of your crystal structure

Upload CIF file get the topological type
(example)

H-bonded molecular MOFs,
standard representation

  Upload CIF file and get the topological type of your crystal structure for free


Consulting

We provide various forms of support of the ToposPro users and the researches who would like to include topological analysis in their investigation. The main services
are collected below.

Description of the crystal structure topology

Determining the underlying net(s) topology with pictures, description and list of analogs
Determining the underlying topology of your crystal structure

FREE

Upload CIF file and get the topological type of your crystal structure.

Description of the solid ion conductors

Сation migration paths in inorganic fast-ion conductors (geometrical/topological parameters, figures and description)

Search for analogues among the known inorganic fast-ion conductors

FREE

Service for determining the analogues of your crystal structure among the known fast-ion conductors
ToposPro

Latest version: 5.3.3.5
(Release notes)

Download



  System Requirements

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

About

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.

   



Topological databases

 

TTD (Topos Topological Database)
This collection contains the information on topological types of simple periodic nets and finite graphs.

TTO (Topological Types Observed)
This collection matches topological types of abstract nets and graphs collected in the TTD with examples of real crystal structures.

TTR (Topological Types Relations)
This collection is based on the TTO collection and lists all ways of transformation from one net to another that are realized in crystal structures.

TTS (Topos Topological Samples)
This collection contains topological type samples of underlying nets obtained by simplification of 13,644 real crystal structures.
Total entries: 191,338
Total entries: 1,852,272
Total entries: 5,977
Total entries: 14,832



TTM (Topological Types of Molecules)
This collection is a large database of molecules, their sizes, forms, and connection modes in crystals.

TTN (Topological Types of Nanoclusters)
This collection contains the data on chemical composition, topological structure and connection modes of polyshell nanoclusters in intermetallic compounds.

TTL (Topological Types of Ligands)
This collection is a comprehensive storage of ligands and their coordination modes in mononuclear, polynuclear and polymeric coordination compounds.

TTT (Topological Types of Tiles)
The TTT collection contains 398 natural tiles that construct tilings of periodic nets, as well as the information about occurrences of the tiles in crystal structures.
Total entries: 402,618
Total entries: 2,017
Total entries: 199,225
Total entries: 398