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AntonOresten committed Jan 9, 2024
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[![Build Status](https://github.com/MurrellGroup/Backboner.jl/actions/workflows/CI.yml/badge.svg?branch=main)](https://github.com/MurrellGroup/Backboner.jl/actions/workflows/CI.yml?query=branch%3Amain)
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Backboner is a Julia package that offers a set of types and functions for working with molecular *backbones*: defined here as a continuous chain of bonded atoms. The package provides a variety of different types for representing backbones:
Backboner is a Julia package that offers a set of types and functions for working with molecular *backbones*: defined here as continuous chains of bonded atoms. The package provides a variety of different types for representing backbones:
- `Backbone`: a type containing a 3xN matrix of coordinates
- `ChainedBonds`: a type that holds vectors of bond lengths, bond angles, and dihedral angles
- `Frames`: a collection of rotations and translations (e.g. for representing orientations and locations of protein residues)
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@AntonOresten
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Release notes:

  • Add Frames type for working with e.g. rotations and locations of protein residue backbone triangles, using the Kabsch algorithm

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Registration pull request created: JuliaRegistries/General/98564

Tagging

After the above pull request is merged, it is recommended that a tag is created on this repository for the registered package version.

This will be done automatically if the Julia TagBot GitHub Action is installed, or can be done manually through the github interface, or via:

git tag -a v0.7.0 -m "<description of version>" 800cd5d2b51b330be5d6b29254495d5ab07d1174
git push origin v0.7.0

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