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Forge Project Molecules Extractor

Cresset KNIME Nodes version 2.5.0.36566 by www.cresset-group.com

Extracts molecules, conformers or alignments from a Forge™ project.

This node wraps the fproject executable, which must be installed with a valid license for this node to work. If this is installed in the default location on Windows, then it should be found automatically. Otherwise, you must either set the 'Cresset Home' preference setting or the CRESSET_HOME environment variable to the base Cresset software install directory. You may also set the 'fproject Path' preference setting or the CRESSET_FPROJECT_EXE environment variable to point directly at the executable itself.

For more information visit www.cresset-group.com or contact us at support@cresset-group.com.

Options

Basic

Type of molecule to extract
The type of molecule to extract, e.g. non-aligned molecules, conformations or alignments.
Only extract molecules from a single role
If checked then only the molecules, conformations or alignments in the given role will be extracted.
Role to extract molecules from
Specify from which role you want to extract the molecules/conformations/alignments. The list of roles in a project can be found using the "Forge Project Roles Extractor" node.

Input Ports

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The Forge project to extract the molecules from.

Output Ports

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The molecules, conformers or alignments in the Forge project.

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install Cresset KNIME Nodes from the following update site:

KNIME 4.2
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Developers

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