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Read Maestro

MOE Extensions for KNIME version 2.4.4.20210128 by Chemical Computing Group ULC.

Opens a Maestro File.

Options

Filename
Filename of Maestro File
Output Format
Select the intended cell format for the output database. SDF is the default. For proteins or molecules with precalculated partial charges Mol2 Format is recommended.
Source File Name
If on the source file name will be written to a new column

Output Ports

Icon
Input Data

Views

Summary
Displays Runtime Information;

Best Friends (Outgoing)

Installation

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

KNIME 4.3

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Developers

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