This workflow shows template-based enumeration (attaching side chains to a core). This flow also uses the constrained coordinate generation to make sure that when coordinates are generated the core is always oriented the same way.
Workflow
Template based enumeration
Used extensions & nodes
Created with KNIME Analytics Platform version 4.6.2
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KNIME AG, Zurich, Switzerland
Version 4.6.2
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NIBR
Version 4.5.0
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Schrödinger
Version 22.3.121
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