Run a semi-empirical and a Jaguar optimization job. Display the ligand ESP charges in Maestro.
[Requires: LigPrep, Jaguar]
Workflow
ESP charges
Used extensions & nodes
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KNIME AG, Zurich, Switzerland
Version 3.5.3
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KNIME AG, Zurich, Switzerland
Version 3.5.3
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Schrödinger
Versions 4.2.10, 4.5.8
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