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Adding Hydrogens

X-ray structures of pdbs normally do not include hydrogen atoms but these are required for correct simulations. This page explains how to use the AddHydrogens plugin to do this. Note: You must have previously installed this plugin and also the program reduce which it uses to perform the addition. See the bottom of this page for installation instructions.

System creation demo

To build a system:

  1. Load a pdb into the System Builder (see here)
  2. Click the Preprocess tab.
  3. Choose the AddHydrogens plugin.
  4. Set your desired values for the various options.
    • See the AddHydrogens README for the more on the various options.
  5. Click Apply.
  6. The output pane fills with information on the addition process.
  7. The hydrogens are now added. Switch to the Build tab and build your system as normal
    • To save a version of the pdb with the hydrogens click 'Save Current' .
    • You can change options and apply the plugin as many times as you want before switching to the Build tab.

See also

Creating a System
System Creation Topics