https://github.com/openchemistry/avogadro-commands

Example default command scripts for Avogadro 2
https://github.com/openchemistry/avogadro-commands

chemistry python script

Last synced: about 1 month ago
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Example default command scripts for Avogadro 2

• Host: GitHub
• URL: https://github.com/openchemistry/avogadro-commands
• Owner: OpenChemistry
• License: bsd-3-clause
• Created: 2018-12-09T20:45:08.000Z (about 6 years ago)
• Default Branch: master
• Last Pushed: 2023-10-28T13:10:26.000Z (over 1 year ago)
• Last Synced: 2024-11-10T19:49:25.377Z (3 months ago)
• Topics: chemistry, python, script
• Language: Python
• Size: 14.6 KB
• Stars: 2
• Watchers: 4
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# avogadro-commands

Example default command scripts for Avogadro 2

- **flattenZ**: Flatten the z-axis of a molecule

- **replace**: Replace atoms of certain elements with others to form alloys

- **scale**: Modify x, y, and z coordinates by a scaling factor