NodeAdd Hydrogens

Source

Adds hydrogen atoms to produce an all-atom structure.

Backend implementation

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

Input Ports

  1. Port Type: Data
    Molecules in Maestro, Sd, Mol2 or Pdb format

Output Ports

  1. Port Type: Data
    Molecules with hydrogens added in Maestro, Sd, Mol2 or Smiles format