Source Code for "EzMechanism: An Automated Tool to Propose Catalytic Mechanisms of Enzyme Reactions"

This archive contains the M-CSA code that is specific to the EzMechanism software. EzMechanism is integrated into the M-CSA website and database so the present files are not a standalone program. These are provided only for review and reproducibility purposes. If you would like to review the entire M-CSA codebase please contact ribeiro@ebi.ac.uk.

If you which to try EzMechanism, you can do so using the M-CSA website. Please see instructions at https://www.ebi.ac.uk/thornton-srv/m-csa/EzMechanism/documentation, and contact ribeiro@ebi.ac.uk if you need help.