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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.
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.
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
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.