The MOFid code has many utilities, two of which can be run in your web browser:
- The ID tool allows you to deconstruct a MOF into its building blocks for the purposes of generating a MOFid/MOFkey, requiring only a CIF as the input. For generating an accurate MOFid/MOFkey, disorder should not be present in the structure. The ID tool will attempt to automatically remove solvent from the framework, if present. Molecules or ions that are not part of the framework should be manually removed from the CIF before generating the MOFid/MOFkey. For newly reported MOFs, we recommend reporting the shorter MOFkey alongside the common name and, optionally, reporting the longer MOFid in the Supporting Information. Several visualization options are provided for the uploaded CIF as well.
- The Search Tool runs queries against the CoRE MOF 2019-ASR database of ~15,000 MOFs
Please note that the tools may require a few minutes to run the analysis after you click “submit.” All analysis is performed locally on your own machine. If it the analysis stalls and does not complete after a few minutes for some reason, please refresh the page and try again.
The main project GitHub repository includes a downloadable C++/Python code, example CIFs for analysis, and credits for third-party software.
This work is supported by the U.S. Department of Energy, Office of Basic
Energy Sciences, Division of Chemical Sciences, Geosciences and
Biosciences through the Nanoporous Materials Genome Center under award