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02_​Run Maestro, Run Maestro command

Free nodes - Run Maestro and Run Maestro command

Automate some rendering preparation and inspect structures in Maestro. Select residues interactively in Maestro, this selection is used to build an ASL.

[Requires: Maestro]

You can collect the command to use in these nodes from another Maestro session from Window > Commandscript editor. Some commands may have to be generalized:eg labelatom compositionfields="Residue name;Residue number" (atom.ptype ' CA ') Free nodes - Run Maestro and Run Maestro command: Automate some rendering preparation and inspect structures in Maestro. Select residues interactively in Maestro,this selection is used to build an ASL.[Requires: Maestro]Residue selection as ASLFirst structureVisual inspectionInspect structurescolored by entryRendering(applied on each structure)Visual inspectionof each binding site Label selected residuesfor all the structuresOnly CA Protein-ligandcomplexesKNIME-MaestroConnector Row Filter Run Maestro Table Rowto Variable Run Maestro Run Maestro Command Run Maestro Molecule-to-MAE Run Maestro Command Java Snippet(simple) Get PDB You can collect the command to use in these nodes from another Maestro session from Window > Commandscript editor. Some commands may have to be generalized:eg labelatom compositionfields="Residue name;Residue number" (atom.ptype ' CA ') Free nodes - Run Maestro and Run Maestro command: Automate some rendering preparation and inspect structures in Maestro. Select residues interactively in Maestro,this selection is used to build an ASL.[Requires: Maestro]Residue selection as ASLFirst structureVisual inspectionInspect structurescolored by entryRendering(applied on each structure)Visual inspectionof each binding site Label selected residuesfor all the structuresOnly CA Protein-ligandcomplexesKNIME-MaestroConnector Row Filter Run Maestro Table Rowto Variable Run Maestro Run Maestro Command Run Maestro Molecule-to-MAE Run Maestro Command Java Snippet(simple) Get PDB

Nodes

Extensions

Links

Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: jcmozzic
Created at: 2015-04-15
On NodePit since: 2020-02-06
Last update: 2020-02-26
Created with KNIME version: v4.0.1
Tags: NodesMaestro

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