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03_​Run PyMOL

Free nodes - Run PyMOL

Display structure in PyMOL. Run PyMOL commands and save the modified structures. Raytrace views and save the images.

[Requires: only the free plugin: https://www.schrodinger.com/SchrodingerKNIMEFreeNodes. No Schrodinger installation]

Free nodes - Run PyMOL:Display structure in PyMOL. Run PyMOL commands and save the modified structures. Raytrace views and save the images.[Requires: only the free plugin: https://www.schrodinger.com/SchrodingerKNIMEFreeNodes. No Schrodinger installation]Select ligandsand renderingRaytrace andsave the images Raytraced images[Vernalis node,can be skipped]Ligands Alignmol2 fileMaestro mouse configurationRenderingAligned structuresSome ligands Protein-ligandcomplex PDB IDSome ligandsRun PyMOL Run PyMOL Loop End Chunk Loop Start Load image Table Viewer MISSING PDBProperty Extractor Table Viewer Load outputstructures Image to Report Load image Run PyMOL Java EditVariable (simple) Run PyMOL Mol2 Writer Mol2 Reader MISSING PDBDownloader Table Creator Mol2 Reader Free nodes - Run PyMOL:Display structure in PyMOL. Run PyMOL commands and save the modified structures. Raytrace views and save the images.[Requires: only the free plugin: https://www.schrodinger.com/SchrodingerKNIMEFreeNodes. No Schrodinger installation]Select ligandsand renderingRaytrace andsave the images Raytraced images[Vernalis node,can be skipped]Ligands Alignmol2 fileMaestro mouse configurationRenderingAligned structuresSome ligands Protein-ligandcomplex PDB IDSome ligandsRun PyMOL Run PyMOL Loop End Chunk Loop Start Load image Table Viewer MISSING PDBProperty Extractor Table Viewer Load outputstructures Image to Report Load image Run PyMOL Java EditVariable (simple) Run PyMOL Mol2 Writer Mol2 Reader MISSING PDBDownloader Table Creator Mol2 Reader

Nodes

Extensions

Links

Download

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

Download Workflow
On NodePit since: 2020-02-06
Last update: 2020-02-26
Created with KNIME version: v4.0.1
Tags: NodesPlugin

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