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