https://github.com/murrellgroup/flatom.jl

https://github.com/murrellgroup/flatom.jl

Last synced: 4 months ago
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• Host: GitHub
• URL: https://github.com/murrellgroup/flatom.jl
• Owner: MurrellGroup
• License: mit
• Created: 2025-07-29T15:30:15.000Z (10 months ago)
• Default Branch: main
• Last Pushed: 2025-08-14T08:28:57.000Z (10 months ago)
• Last Synced: 2025-08-14T10:27:48.303Z (10 months ago)
• Language: Julia
• Homepage:
• Size: 205 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
# Flatom

[![Stable](https://img.shields.io/badge/docs-stable-blue.svg)](https://MurrellGroup.github.io/Flatom.jl/stable/)

[![Dev](https://img.shields.io/badge/docs-dev-blue.svg)](https://MurrellGroup.github.io/Flatom.jl/dev/)

[![Build Status](https://github.com/MurrellGroup/Flatom.jl/actions/workflows/CI.yml/badge.svg?branch=main)](https://github.com/MurrellGroup/Flatom.jl/actions/workflows/CI.yml?query=branch%3Amain)

[![Coverage](https://codecov.io/gh/MurrellGroup/Flatom.jl/branch/main/graph/badge.svg)](https://codecov.io/gh/MurrellGroup/Flatom.jl)

Flatom is a Julia package for converting biomolecular structures to a minimal flat atom format with the following fields:

- `element::Int8`: element number

- `category::Int8`: structure category

  - 1: protein residue

  - 2: nucleic residue

  - 3: other (e.g. hetero)

- `chainid::Int16`: chain identifier

- `resnum::Int32`: residue number (can be optionally renumbered using the MMCIF file)

- `resname::StaticStrings.StaticString{3}`: 3-character alphanumeric residue name

- `atomname::StaticStrings.StaticString{4}`: 4-character alphanumeric atom name

- `coords::StaticArrays.SVector{3,Float32}`: 3D coordinates

Each atom in this format takes up 28 bytes of memory (not 27 for technical reasons).

## Installation

```julia

using Pkg

Pkg.Registry.add(url="https://github.com/MurrellGroup/MurrellGroupRegistry")

Pkg.add("Flatom")

```