Choose the output columns:
Input plus Output - The input columns are included in the output.
Output replaces Input - The output columns are the same as the input, with the output structures replacing the input column selected
Output only - Only Output structures
Structures resulting from the same molecule will be grouped into one cell.
Split input structures by chain, molecule, residue, ligand or pdb.
All MAE properties from Input molecules are included in split output molecules.
Water molecules extracted from the same structure are grouped together into one entry, instead of
generating individual molecule entries for each water molecule.
Split cofactors and metals into different structures.
(Default is to keep with nearest protein structure)
ASL used to define ligand structures.
ASL used to define cofactor structures.
Positive Ion ASL
ASL used to define non-metal positive ions.
Negative Ion ASL
ASL used to define negative ions.
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: SplitStruct
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.
Wait a sec! You want to explore and install nodes even faster? We highly recommend our
NodePit for KNIME
extension for your KNIME Analytics Platform.
Do you have feedback, questions, comments about NodePit, want to support this platform, or want your own nodes or workflows listed here as well?
Do you think, the search results could be improved or something is missing?
Then please get in touch! Alternatively, you can send us an email to email@example.com,
follow @NodePit on Twitter,
or chat on Gitter!
Please note that this is only about NodePit. We do not provide general support for KNIME — please use the KNIME forums instead.