Check for the presence of guest molecules and if yes, remove it before computing the properties of the MOFs
Compute geometric properties of MOFs such as PLD, LCD, AV, ASA, void fraction and number of channels. This is computed using a probe of radius 1.86 corresponding to the atomic radii of nitrogen and runs for 5000 cycles. In the future, users should be able to use their own properties.
Deconstruct the MOF into their unique building units. This include the metal secondary building unit, organic secondary building unit and organic ligand