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A Julia package to read, write and manipulate macromolecular structures

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BioJulia/BioStructures.jl

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BioStructures.jl

Latest Release:

Latest release License Documentation stable BioJulia maintainer: jgreener64

Development status:

Build status codecov.io Documentation dev

Description

BioStructures provides functionality to read, write and manipulate macromolecular structures, in particular proteins. Protein Data Bank (PDB), mmCIF and MMTF format files can be read in to a hierarchical data structure. Spatial calculations and functions to access the PDB are also provided. It compares favourably in terms of performance to other PDB parsers - see some benchmarks online - and should be lightweight enough to build other packages on top of.

Installation

Install BioStructures from the Julia package REPL, which can be accessed by pressing ] from the Julia REPL:

add BioStructures

See the documentation for information on how to use BioStructures.

Citation

If you use BioStructures, please cite the paper:

  • Greener JG, Selvaraj J and Ward BJ. BioStructures.jl: read, write and manipulate macromolecular structures in Julia, Bioinformatics 36(14):4206-4207 (2020) - link - PDF

Contributing and questions

We appreciate contributions from users including reporting bugs, fixing issues, improving performance and adding new features.

If you have a question about contributing or using this package, you are encouraged to use the #biology channel of the Julia Slack or the Bio category of the Julia Discourse site.