RDKit Nodes for Knime version 4.0.1.v202002121352 by NIBR
Calculates the best RMSD value for different conformers of the same RDKit molecules and filters them based on a threshold value. To know which conformers belong together a reference column is used. It must contain unique keys for each conformer molecule group. Otherwise the result is undefined.
To use this node in KNIME, install RDKit KNIME integration from the following update site:
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