Protein Structure Alignment

Protein Structure Alignment uses SKA to align protein structures to a reference structure. The reference structure provides the frame of reference to which all other structures are aligned.

Backend implementation

Options

Column containing reference structure

Select column in the input data table containing the reference structure

Column containing mobile structures

Select column in the input data table containing the mobile 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

Force alignment

Align each mobile structure separately to the reference structure, i.e. generate the optimal alignment for every pair of structures.

ASL

ASL for the substructures to align.

Parameter flow variables

Any valid option for this node can be specified through flow variables. Only String variables are accepted.
Usage:
Flow variable prefix keyword: PSA
Note: To specify an option as flow variable, the flow variable name should be like:
keyword-option_name for single-dash option
keyword--option_name for double-dash option

To add a new option with value, specify the option_name and the corresponding value through flow variable.

To add a new option without value, specify the option_name and the value as _on_ through flow variable.

To override an existing option's value in the command line, just specify the option_name and the new value through the flow variable.

To remove an existing option from command line, just specify the option_name and the value as _off_ through the flow variable.

Views

Standard output/error

Standard output/error

Workflows

• Get PDB and preparationKNIME Hub
• Protein AlignmentKNIME Hub
• Protein AlignmentKNIME Hub
• Protein structural diversity analysisKNIME Hub

Links

• No links available

Developers