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NodeConformer Cluster

Source

Conformer Cluster

Backend implementation

$SCHRODINGER/run conformer_cluster.py
Input ports
  1. Molecules in Maestro format Type: Data
    Molecules in Maestro format
Output ports
  1. Clusters in Maestro format Type: Data
    Clusters in Maestro format
  1. Conformer cluster
    Nodes Maestro ConfGen
    Cluster conformers based on Cartesian or torsional RMSD. [Requires: Maestro, ConfGen]
    jcmozzic > Public > Recent request > _Nodes > Conformer cluster > Node Conformer cluster
  2. MM Conformational search 1-2
    jcmozzic > Public > Schrodinger workflow examples > Molecular Mechanics > Conformational search > MM Conformational search 1-2
  3. Node Conformer cluster
    Conformer cluster: ClusterCluster conformers based on Cartesian or torsional RMSD. conformers based on Cartesian or tors…
    jcmozzic > Public > Schrodinger workflow examples > _Nodes > Conformer cluster > Node Conformer cluster
  4. MM Conformational search 1-4
    jcmozzic > Public > Schrodinger workflow examples > Molecular Mechanics > Conformational search > MM Conformational search 1-4
  5. MM Conformational search 1-3
    jcmozzic > Public > Schrodinger workflow examples > Molecular Mechanics > Conformational search > MM Conformational search 1-3
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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