BioStructures.jl

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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.