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White Rabbit: Detection and geometrical analysis of rings and pores in mesoporous materials

To analyse the degree of distortions, windows apperture of zeolite windows from CAR or PDB files. The algorithm automatically detects the rings of the structures and performs statistics on them: area, distortions, ellipticities and characteristic distances.

Falling down the rabbit hole!

Graphics:

STW zeolite with 8-membered and 10-membered rings marked with white and pink spheres, respectively. alt text