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

Views

Std output/error of protassign.py

Std output/error of protassign.py

Workflows

• Grid generation 1KNIME Hub
• Grid generation 1KNIME Hub

Links

• No links available

Developers