Desmond Trajectory Extract Frames

Extracts selected frames from a Desmond trajectory into a table of output structures.

Backend implementation

Options

Column containing Desmond Trajectory

Select column in the data input table containing the Desmond Trajectory

ASL

Enter the ASL expression to specify the part of the structure to be extracted. The default is all. Not valid with cms output type.

Frames to extract

Specify the range of frames to extract in Python's slice notation START:END:STEP. Leaving this field empty extracts all frames.

Output type

Select the output structure type: Maestro, PDB or CMS

Views

Std output/error of Desmond Trajectory Extract Frames

Std output/error of Desmond Trajectory Extract Frames

Workflows

• MD simulation 1-2KNIME Hub
• MD simulation 1-2KNIME Hub
• MD simulation 1-3KNIME Hub
• MD simulation 1-3KNIME Hub

Links

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Developers