Ungroup MAE

Maestro cells in KNIME can contain more than object, whether it is a molecule (i.e., CT), Sequence, or Alignment. This MAE Expander node expands such Maestro cells so that for each one of these objects, a copy of the row is generated. Every data value in the other columns besides the Maestro cell that is expanded is copied from the original row into each of the expanded rows. If there is more than one column with Maestro cells, the configure dialog allows the selection of which column should be expanded.

Input Ports

This table includes a column, which can be a Sequence, Alignment, or Maestro format

Output Ports

This table includes the input that is expanded on the selected column

Best Friends (Incoming)

• Ungroup MAE (50 %) 
• Row Filter (50 %) Streamable
• Conformer Cluster (< 1 %) 
• LigPrep (< 1 %) 

Best Friends (Outgoing)

• Ungroup MAE (50 %) 
• RMSD (50 %) 
• Jaguar Single Point Energy (< 1 %) 
• Column Rename (< 1 %) Streamable

Workflows

• C cluster 1-4
• C MCSS 1-2
• C MCSS 1-3
• C MCSS 1-4
• Covalent docking 1
• D loop
• R group enumeration
• LD workshop
• MM CS 1
• MM CS 1-2
• MM CS 1-3
• MM CS 1-4
• P screen 1
• P screen 1-2
• P screen 1-3
• P Shape 1-2
• P Shape 1-3
• Prot biolum 1
• Prot biolum 1-2
• Prot biolum 1-3
• Prot biolum 1-4
• Prot Build antibody
• Prot IFD 1
• Prot build 1
• Prot build 1-2
• Prot build 1-3
• Prot Split mult 1-2
• Prot Split mult 1-3
• QM CS 1
• QM CS 1-2
• QM CS 1-3
• QM pKa
• RW cocryst lig redock 2
• RW SiteMap dock
• W G loop
• Node Conformer cluster
• Node Epik
• Show all 37 workflows

Installation

To use this node in KNIME, install Schrödinger Nodes for Suite2019-1 from the following update site: