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Protein Assignment

Schrödinger extension for KNIME Workbench version 20.4.144.202011110821 by Schrödinger

Assign chi angles in residues and orientation of waters.

Backend implementation

utilities/protassign
The command line utility protassign is used to implement this node.

Options

Column containing structure
Select column in the data input table containing the structures
Output Column Structure
Choose the output columns:

Input plus Output - The input columns are included in the output.

Output replaced within Input columns - The output columns are the same as the input, with the output structures replacing the input column selected

Output only - Only Output structures

Sample ASN/GLN/HIS Chi flips
Sample water orientations

Input Ports

Icon
Structures in Maestro format

Output Ports

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Processed structures in Maestro format

Views

Std output/error of protassign.py
Std output/error of protassign.py

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

Installation

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

KNIME 4.3

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Developers

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