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Add Hydrogens

SchrödingerMiscellaneousStructure Manipulation
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Adds hydrogen atoms to produce an all-atom structure.

Backend implementation

utilities/applyhtreat
The command line tool applyhtreat is used to implement this node.

Node details

Input ports
  1. Type: Table
    Molecules in Maestro, Sd, Mol2 or Pdb format
    Molecules in Maestro, Sd, Mol2 or Pdb format
Output ports
  1. Type: Table
    Molecules in Maestro, Sd, Mol2 or Smiles format
    Molecules with hydrogens added in Maestro, Sd, Mol2 or Smiles format

Extension

The Add Hydrogens node is part of this extension:

  1. Go to item

Related workflows & nodes

  1. Go to item
  2. Go to item
  3. Go to item

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