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Desmond Trajectory Reader

Schrödinger extension for KNIME Workbench version 19.4.12.201911202345 by Schrödinger

Stores the directory containing the Desmond Trajectory directory and the .cms file.

To remove files from the list select the file and press the 'Delete' key.

To select all files in the list press Ctrl-A.

To add all files that match a pattern, using an asterisk (*) into the dialog "File Name" field. Press return, and the file filter will show up in the "Files of Type" drop down, then press Ctrl-A to select all of the files that show up with that filter. The list of files will then show up in the "File Name:" field, space delimited with double quotes around each file name. Then press "Open" to load all of those files.

Options

Desmond trajectory files
Select the location of the Desmond trajectory
Copy files to directory
If selected, the CMS files will be copied to the selected directory. If the directory does not exist, it will be created.

Output Ports

Desmond Trajectories

Best Friends (Outgoing)

Workflows

Installation

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

KNIME 4.1
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Developers

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