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Desalter

Schrödinger extension for KNIME Workbench version 20.4.144.202011111133 by Schrödinger

Eliminates all molecules except the molecule with the largest number of atoms in each structure.

Backend implementation

utilities/desalter
desalter 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

Input Ports

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Input data table containing molecules in Maestro format

Output Ports

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Molecules in Maestro format

Views

Std output/error of Desalter
Std output/error of Desalter

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

Installation

To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:

KNIME 4.2

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Developers

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