NodeDelete Atoms

Source

Delete atoms from a structure file, based on a Maestro ASL expression.

Backend implementation

$SCHRODINGER/run delete_atoms.py
Input ports
  1. Molecules in Maestro, Sd, Mol2 or Pdb format Type: Data
    Molecules in Maestro, Sd, Mol2 or PDB format
Output ports
  1. Molecules in Maestro, Sd, Mol2, Pdb or Smiles format Type: Data
    Molecules without deleted atoms in Maestro, Sd, Mol2, Pdb or Smiles format
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    jcmozzic > Public > Schrodinger workflow examples > Molecular Dynamics > MD simulation > MD simulation 1-3