The result of the standard simplification by the ADS program is changed; now in the record in the database "_c" contains not only the underlying net, but also the original crystal structure; the adjacency matrix format became similar to the dual net obtained by the tiling method;
The calculation of integral characteristics of Voronoi polyhedra for atoms in molecular fragments is added;
Saving/reading the adjacency matrix in/from CIF file is added;
Visualization of the electron density calculated with the VASP package is implemented in the IsoCryst module;
The possibility of searching for a subgraph containing non-valence contacts is added.
ToposPRO 18.104.22.168 (Release date: 31 January 2017)
IsoCryst: The procedure of generating all symmetrically equivalent rings by the command Select/Multiply is implemented.
ToposPRO 22.214.171.124 (Release date: 18 November 2016)
Now you can save the adjacency matrix of structure in CIF-file.
ToposPRO 126.96.36.199 (Release date: 9 September 2016)
Dirichlet: New features are added to the calculation of the adjacency matrix of voids.
ToposPRO 188.8.131.52 (Release date: 15 August 2016)
Dirichlet: The algorithm for calculating the adjacency matrix of voids is improved.
IsoCryst: The projection control commands are added to the tool "Magic Wand":