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AaronTools plug-in for Chimera
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README.md

ChimAARON

ChimAARON

ChimAARON is an AaronTools-based plugin for UCSF ChimeraX, a cross-platform 3D molecular graphics program. ChimAARON extends ChimeraX by adding tools to build and modify complex molecular structures, map new catalysts and ligands onto previously-computed structures, and manage AaronTools libraries. These tools enable users to rapidly modify several structures simultaneously, providing an intuitive interface to build libraries of the complex molecular structures frequently encountered in modern quantum chemistry applications.

Installation

  1. Download ChimAARON-0.1-py3-none-any.whl
  2. Open ChimeraX
  3. On the command line, enter toolshed install /path/to/ChimAARON-0.1-py3-none-any.whl
  4. Download AaronTools.py and save it in the directory where ChimeraX installed ChimAARON
    • To find where ChimeraX installed ChimAARON, open the python notebook in ChimeraX (Tools → General → Shell)
    • Enter the following in the notebook:
    import ChimAARON
    ChimAARON.__file__
    • This should print out the path to ChimAARON's __init__ file (something like "/stuff/things/UCSF/ChimeraX/version/site-packages/ChimAARON/__init__.py").
    • Save AaronTools.py in a directory called AaronTools in "/stuff/things/UCSF/ChimeraX/version/site-packages".
  5. Restart ChimeraX
  6. If you have a personal AaronTools library already, you can specify the path to it in the ChimAARON settings. Open ChimeraX and go Favorites → Settings... → ChimAARON. You will have to restart ChimeraX if you change this setting.

Other Versions

This is a plug-in for ChimeraX.

Chimera

The Chimera version of ChimAARON can be found on the Chimera branch.

ChimeraX Daily

For the latest features and bugs, go to the development branch

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