Here, we have presented the web-version of the mBUD package. To extract the building units (BUs) from a MOF structure, upload the Crystallographic Information File (CIF) for the MOF. Once the analysis is complete, the extracted BUs (in both experimental and computational representation) can be visualized and downloaded in the CIF format.

Currently, our code can read 'P 1' space group only. So, the Crystallographic Information File (CIF) for all the structures need to be converted into the 'P 1' space group. This operation can be accomplished using the cif2cell python package.

Some example MOF files have given below.


N.B. - The uploaded structurs are kept in the repository and will not be distributed.