A lightweight and flexible Julia package for handling structure files with ease.
- Molecular Dynamics: Designed to provide support for MD simulation analysis. See also MolSimToolkit.jl.
- Simple but Powerful: Read and write PDB and mmCIF structure files with minimal overhead.
- Flexible Atom Selection: Use intuitive syntax or custom Julia functions.
- Lightweight: Focus on atomic data without the overhead of metadata parsing and compact data structures. Can handle very large structures.
- Performance: Expect analysis functions to be fast. For instance, SASA and hydrogen bonds analyses are among the fastest available.