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ase-guiΒΆ

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.

../../_images/ag.png
  • ase-gui basics and command line options
    • General use
    • Files
    • Selecting part of a trajectory
    • Writing files
    • Interactive use
    • NEB calculations
    • Plotting data from the command line
    • Defaults for ase-gui
    • High contrast settings for ase-gui
  • Edit
    • Add atoms
    • Modify
    • Copy/Paste
  • View
    • Repeat
    • Rotate
    • Colors
    • Settings
  • Tools
    • Graphs
    • Movie
    • Expert mode
    • Constraints
    • Render scene
    • Move atoms
    • Rotate atoms
    • Orient atoms
    • NEB
    • Bulk Modulus
  • Setup
  • Calculate
    • Set calculator
    • Energy and forces
    • Energy minimization
    • Scale system

ASE

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  • Tutorials
  • Documentation
  • FAQ
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  • Release notes
  • License info

Development

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  • Epydoc
  • Source code (svn)
  • Bugs!
  • Bug Tracker
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