Training courses on TOPOS

Forthcoming

Topological Crystal Chemistry: Theory and Practice (Nancy, France, 21 June - 2 July 2010)

Past

ICMR summer school on Periodic Structures and Crystal Chemistry (Santa Barbara, USA, July 27-August 9, 2008).

Scuola di Dottorato in Scienze e Tecnologie Chimiche (Milan, Italy, January 27-30, 2009).

Download TOPOS "getting started" kit !


Announcement

What to do with new topologies?

Exploration of the crystal structure topology becomes more and more popular and researchers often encounter topologies not described in the TTD collection. How to designate them, how to refer to them and how to be sure that your colleagues will be advised about them? Here we announce a strategy to resolve these problems.

1. If you have found the message

New topology, please, contact the authors

in the ADS output please email a TOPOS database (*.adm, *.cd and *.cmp files) with this structure to

Prof. Vladislav A. Blatov
Department of Chemistry
Samara State University
Samara, Russia
Email: blatov@ssu.samara.ru
or
Prof. Davide M. Proserpio
DCSSI - University of Milano
Milano, Italy
Email: davide.proserpio@unimi.it

2. After checking the data we assign a code abcN to the topology, where abc is your three-letter personal identifier and N is the ordinal number of the topology you have discovered (e.g. smi12 that means '12th topology discovered by Smith'). If you have no identifier we will consult with you about its name.

3. The list of authors' personal identifiers together with contact information is available at the TOPOS website.

4. The novel topology will be included into the TTD collection and published in a two-week update of the personal.ttd database. Anyone who will download the database will be aware of the new topology.

5. If the topology will further be included into other databases it will get other names according to the nomenclatures described above, but the initial abcN name will be retained as a prove of priority.


List of TOPOS main improvements and additions

Short description

TOPOS part

Reference

Version as of December 19, 2009    
Simplification procedures ADS, Options/Simplification Method  
"Nanoclustering" procedure DBMS, Compound/Auto Determine Acta Cryst. 2009, B65, 300-307
New format for TTD collection    
Version as of April 22, 2009    
Tools to work with TTO collection Database/TTO Collection Topological classification of nets with TOPOS4.0 Professional
Searching for specific bonding AutoCN, Options/Specific Bonds  
Version as of May 26, 2008    
Search for a finite fragment in the crystal net DBMS, Subgraph Filter; IsoCryst, Select tools  
Version as of December 12, 2007    
Tools to work with TTD and TTO collections DBMS, Crystal Data Window, Comment tab; Database/TTD Collection Topological classification of nets with TOPOS4.0 Professional
Version as of August 03, 2007    
Entanglements, catenations, threadings ADS, Options/Topology/ Entanglement Visualization of Interpenetration in TOPOS4.0 Professional
Version as of March 21, 2007    
Group-subgroup relations for space groups DBMS, Crystal Data Window, Symmetry button International Tables for Crystallography, Vol. A1
Generating structure representations DBMS, Compound/Copy Representations Acta Cryst. 2006, A62, 356-364
Supernet-subnet relations

DBMS, Compound/Copy Representations; Database/TTD Collection

Acta Cryst. 2007, A63, 329-343
Constructing tilings and dual nets ADS, Options/Tiling IUCr CompComm Newsletter, 7, 4-38