Hydrogen Manipulator

This node adds missing hydrogens to CDK molecules and forces all hydrogens to be implicit. Stereochemistry is converted onto non-terminal bonds.

Options

Column with molecules
Select the column containing the molecular structure.
Exclude 'stereo hydrogens'
Whether stereo-relevant hydrogens should be kept.
Append Column
Appends a new molecule column (with the name as specified in the text field) if checked, replaces the original column otherwise.

Input Ports

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Table containing molecular structures

Output Ports

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As input but with added implicit hydrogens

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Further Links

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