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Molecule Reader

Alvascience alvaDesc Plugin version 1.0.22 by Alvascience Srl

This node can be used to read data from a molecule file. It can read various file formats: SMILES, MDL and SYBYL. When you open the node's configuration dialog you need to provide a file path and the corresponding format. The output can then be used as an input for the Descriptor and Fingerprint nodes.

Options

Molecule file path
Enter a valid molecule file path. You can also select a file from the "Browse..." dialog.
Molecule file format
Enter the corresponding molecule format (SMILES, MDL (MOL and SDF) and SYBYL (MOL2)) or try the 'Automatic detection' feature.

Output Ports

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Table containing molecules read from the Molecule file

Best Friends (Outgoing)

Installation

To use this node in KNIME, install Alvascience alvaDesc from the following update site:

KNIME 4.3

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Developers

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