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NodeDesmond System Builder

Source

The System Builder panel allows you to set up a biological system consisting of proteins, ligands, explicit solvent, membrane, and counter ions, so that you can perform simulations on the system with Desmond.

Backend implementation

$SCHRODINGER/utilities/multisim
Input ports
  1. Structure in Maestro format Type: Data
    Input structure in Maestro format
Output ports
  1. CMS files Type: Data
    CMS file
  1. MD simulation 1-3
    Desmond MD simulation: Prepare a system and run a Desmond MD simulation. Individual frames are then extracted and analyz…
    jcmozzic > Public > Schrodinger workflow examples > Molecular Dynamics > MD simulation > MD simulation 1-3
  2. MD simulation 1-2
    Desmond MD simulation: Prepare a system and run a Desmond MD simulation. Individual frames are then extracted and analyz…
    jcmozzic > Public > Schrodinger workflow examples > Molecular Dynamics > MD simulation > MD simulation 1-2
  3. MD simulation 1
    Desmond MD simulation: Prepare a system and run a Desmond MD simulation. Individual frames are then extracted and analyz…
    jcmozzic > Public > Schrodinger workflow examples > Molecular Dynamics > MD simulation > MD simulation 1
Add to KNIME Analytics Platform

Drag node into the workbench of KNIME Analytics Platform 4.x

Extension

This node is part of the extension

Schrödinger Extensions for KNIMETrusted extension
Version 19.4.12
Short link

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