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Protex v1.1.0

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@florianjoerg florianjoerg released this 01 Mar 14:26
· 249 commits to main since this release
a7f72c9

This is a new minor release.

What's New

  • Changed from setup.py to pyproject.toml
  • Handling of Grotthus mechanism is now possible. Details in #56 and #57
    You can specify a new keyword "equivalent_atom" in the states dictionary for the templates

What's Changed

Full Changelog: v1.0.0...v1.1.0