A comprehensive system for geometrical
and topological analysis of crystal structures
and topological analysis of crystal structures
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
ToposPro
Latest version: 5.5.3.1
(Release notes)
System Requirements
Windows 11, 10, 8.1, 8, 7, Vista
and XP. Including both 32-bit and
64-bit versions.
Latest version: 5.5.3.1
(Release notes)
Download
System RequirementsWindows 11, 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.
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.
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 real crystal structures.
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 natural tiles that construct tilings of periodic nets, as well as the information about occurrences of the tiles in crystal structures.
