Instructions to the user in case of discovering a new topology 


If you have identified a structure with a new topology and are using the demo version of the TTD database that is distributed free with the ToposPro package, first you have to check if the topology is included in the full version of the TTD database. To do this you can use the online service Find topology . You have to determine the topology by the underlying net that is saved from the ToposPro in a CIF-file. If, after checking, it turns out that this topology is unknown, please inform us by e-mail team@topospro.com, attaching a CIF-file.

Pay attention to the criteria we use to add a new topology to the TTD database:

1. The topology is quite simple (in most cases it should not contain more than 3-4 topologically different nodes);

2. Often (more than 4-5 times) it occurs in crystal structures;

3. It belongs to an important class of crystal structures (zeolite structures, MOFs, etc.).

If you do not meet the criteria in adding a topology to the TTD database, you can refer to it in your papers by specifying its Point symbol.

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