2020_11_20_KNIME_Summit_RDKit_Workshop

This directory contains 2 workflows.

View PDB Structures

This workflow allows to interactively explore in 3D the PDB structure with the small molecule ligand. The RCSB PDB is accessed via the PDB Connector Query […]

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2020_​11_​20_​KNIME_​Summit_​RDKit_​Workshop

Reactions with RDKit

View PDB Structures

2020_11_20_KNIME_Summit_RDKit_Workshop