Pharmacophore Writer

This nodes should be used to save MOE pharmacophore models created in KNIME to a file that is readable in MOE. For model files used in KNIME only the Model Writer node should be used!

This node can access a variety of different file systems. More information about file handling in KNIME can be found in the official File Handling Guide.

Options

Settings

Write to
Select a file system in which you want to write the file to. There are four default file system options to choose from:
  • Local File System: Allows you to select a location in your local system.
  • Mountpoint: Allows you to read from a mountpoint. When selected, a new drop-down menu appears to choose the mountpoint. Unconnected mountpoints are greyed out but can still be selected (note that browsing is disabled in this case). Go to the KNIME Explorer and connect to the mountpoint to enable browsing. A mountpoint is displayed in red if it was previously selected but is no longer available. You won't be able to save the dialog as long as you don't select a valid i.e. known mountpoint.
  • Relative to: Allows you to choose whether to resolve the path relative to the current mountpoint, current workflow or the current workflow's data area. When selected a new drop-down menu appears to choose which of the three options to use.
  • Custom/KNIME URL: Allows to specify a URL (e.g. file://, http:// or knime:// protocol). When selected, a spinner appears that allows you to specify the desired connection and write timeout in milliseconds. In case it takes longer to connect to the host / write the file, the node fails to execute. Browsing is disabled for this option.
It is possible to use other file systems with this node. Therefore, you have to enable the file system connection input port of this node by clicking the ... in the bottom left corner of the node's icon and choose Add File System Connection port .
Afterwards, you can simply connect the desired connector node to this node. The file system connection will then be shown in the drop-down menu. It is greyed out if the file system is not connected in which case you have to (re)execute the connector node first. Note: The default file systems listed above can't be selected if a file system is provided via the input port.

Input Ports

Icon
MOE Model
Icon…
The file system connection.

Output Ports

This node has no output ports

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Links

Developers

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Installation

To use this node in KNIME, install the extension MOE Extensions for KNIME from the below update site following our NodePit Product and Node Installation Guide:

v5.3

A zipped version of the software site can be downloaded here.

Plugin provider: Chemical Computing Group ULC.
Plugin version: 2.5.2.20240913
On NodePit since: 2024-07-09
Last update: 2024-11-23
KNIME versions: v5.3, v5.2, v5.1, v4.7, v4.6, v4.5

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