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IL Profile Set

LigandScout Extensions for the KNIME Workbench version 1.7.9 by InteLigand GmbH

The IL Profile Set node provides pharmacophores for Inte:Ligand PharmacophoreDB profiling workflows. A sub-set of models can be selected in the configuration.
A separate license is required to use PharmacophoreDB. Please contact sales@inteligand.com for more information on available license terms and to obtain the necessary authentication credentials.

Options

Model Selection

Remote Models Authentication
Username and password to authenticate with remote Inte:Ligand servers and download encrypted pharmacophore models.
Pharmacophore Selection
After authentication, this panel becomes available and allows the selection of models to be included in the output table.

Intermediate Host

Use intermediate Host
If selected, the below settings will be enabled. Usage of an intermediate host allows to tunnel the connection through another host and this way reach otherwise inaccessible servers. This can be necessary if a firewall prohibits your workstation to access the public internet.
IP or hostname
Sets the IP or hostname of the intermediate host that has access to the remote cluster.
SSH Port
Sets the port used for the SSH protocol on the intermediate host.
(Default: 22)
User
This field should be set to your username on the intermediate host.
Identity File
Sets the path to the secret key file used to authenticate with the intermediate host.
Use Password
If selected, a password can be used instead of the secret key file. Please beware that the password has to be stored on this computer. It is therefore recommended to use an identity file.

Output Ports

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Table containing the pharmacophore-model(s)

Best Friends (Outgoing)

Installation

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

KNIME 4.3

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Developers

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