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