Description: An open source code for geometry-based analysis of crystalline porous materials.
zeolite (55) mof (42) zeo++ (11) porous materials (4) voronoi (4) zeopp (1) free sphere (1) included sphere (1) accessible surface (1) accessible volume (1)
Zeo++ is a software package for analysis of crystalline porous materials. Zeo++ can be used to perform geometry-based analysis of structure and topology of the void space inside a material, to assemble or alternate structures as well as to generate structure representations to be used in structure similarity calculations. Zeo++ can be used to either analyze a single structure or perform high-throughput analysis of a large database. Features Zeo++ calculates the geometrical parameters describing pores. The t
Zeo++ can also help with structure analysis. For example, given a material structure, it can detect the number of frameworks and their dimensionality. It can also identify and count Open Metal Sites in desolvated MOF frameworks. Zeo++ offers structure assembly and alternation capabilities. For example, it can be used to substitute Si atoms with Al atoms in zeolites on the course of generation of cation-containing zeolite structures as well as assemble MOF or COF frameworks given molecular building blocks an
Update: (June 20th 2017) The updated version of Zeo++ has been released. To download this version (denoted 0.3) please go to the download page.