Neutralizer

This Node Is Deprecated — This node is kept for backwards-compatibility, but the usage in new workflows is no longer recommended. The documentation below might contain more information.

Neutralizes functional groups where possible by adding or removing protons.

Backend implementation

utilities/neutralizer
neutralizer is used to process the Maestro input and generate the Maestro output.

Options

Column containing structure
Select column in the data input table containing the structures
Output Column Structure
Choose the output columns:

Input plus Output - The input columns are included in the output.

Output replaced within Input columns - The output columns are the same as the input, with the output structures replacing the input column selected

Output only - Only Output structures

Input Ports

Icon
Input data table containing molecules in Maestro format

Output Ports

Icon
Molecules in Maestro format

Views

Std output/error of Neutralizer
Std output/error of Neutralizer

Workflows

Links

Developers

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.