Manual: How to Use the Rational Design of Molecular Frameworks Tool
[Very rudimental, still under construction]
General Instructions
Geneate and optimize your node and linker, replace atoms where the new bond should be formed between building blocks with X and upload the two xyz files.
An example is provided in the following figure:
Or otherwise play with the following structures:
MOF-841
MOF-801
MOF-808
LZU-306
Tips and Troubleshooting
- Ensure your XYZ files are properly formatted.
- Check that your files contain the necessary 'X' caps atoms.
- If you encounter errors, try to adjust your input files.
- If you have any suggestions send feedbacks