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Residue Selector

MOE Extensions for KNIME version 2.4.4.20210128 by Chemical Computing Group ULC.

Select residue graphically. Click on an residue to select or deselect. Drag with the mouse to select multiple residues simultaneously. Shift-drag deselects residues and ALT drag inverts the selection state. In numeric mode the positions can be entered separated by commas. To restrict the selection onto one chain prepend the residue numbers by the fieldname followed by a colon. Different chains should be separated by semicolon. Ranges can be selected with dash. For example: VL:3,5,7;VH:9-11,13

Options

Sequence Fields
Field containing the sequences
Output Field Suffix
Column name suffix for the output.
Mode
In graphical mode you can select the residues in a GUI. Click on a residue to select or deselect. Drag with the mouse to select multiple residues simultaneously. Shift-drag deselects residues and ALT drag inverts the selection state. In numeric mode the residues are selected by their position.
Positions
Enter the positions separated by commas. To restrict the selection onto one chain prepend the residue numbers by the fieldname followed by a colon. Different chains should be separated by semicolon. To select a range use the dash. For example: VL:3,5,7;VH:9-12

Input Ports

Icon
Sequences

Output Ports

Icon
Selected Residues

Views

Summary
Displays Runtime Information;

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

Installation

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

KNIME 4.3

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Developers

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