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AutoCN 


Computes the adjacency matrix of crystal structure, determines types of interatomic interactions (valence, H-bond, specific, van der Waals).
  • computes the adjacency matrix of crystal structure;
  • determines valence interatomic interactions, hydrogen bonds, specific and van der Waals contacts;
  • computes geometrical parameters of interatomic interactions.
The program AutoCN uses Voronoi polyhedra and a number of special algorithms to build the adjacency matrix. The matrix is stored in the database as a weighted colored labeled quotient graph.


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