ASE’s GUI

The graphical user-interface allows users to visualize, manipulate, and render molecular systems and atoms objects. It also allows to setup and run a number of calculations and can be used to transfer between different file formats.

• ase-gui basics and command line options
  • General use
  • Files
  • Selecting part of a trajectory
  • Writing files
  • Interactive use
    • GUI.repeat_poll()
  • NEB calculations
  • Plotting data from the command line
  • Defaults
  • High contrast settings
• Edit
  • Add atoms
  • Modify
• View
  • Repeat
  • Rotate
  • Colors
  • Settings
• Tools
  • Graphs
  • Movie
  • Constraints
  • Render scene
  • Move atoms
• Setup
• Calculate
  • Set calculator
  • Energy and forces
  • Energy minimization