Run a semi-empirical and a Jaguar optimization job. Display the ligand ESP charges in Maestro. [Requires: LigPrep, Jaguar]
Used extensions & nodes
Created with KNIME Analytics Platform version 4.1.0 Note: Not all extensions may be displayed.
Loading ad hoc executions
By using or downloading the workflow, you agree to our terms and conditions.
Discussions are currently not available, please try again later.