# chemfiles.rs ![Test status](https://github.com/chemfiles/chemfiles.rs/workflows/Test/badge.svg) [![codecov.io](https://codecov.io/github/chemfiles/chemfiles.rs/coverage.svg?branch=master)](https://codecov.io/github/chemfiles/chemfiles.rs?branch=master) [![Documentation](https://img.shields.io/badge/docs-latest-brightgreen.svg)](http://chemfiles.org/chemfiles.rs/) Rust binding for the [chemfiles](https://github.com/chemfiles/chemfiles) library. ## [Documentation](http://chemfiles.org/chemfiles.rs/) ## Usage Add this to your `Cargo.toml` file: ```toml [dependencies] chemfiles = "0.10" ``` Here is a simple usage example. See the `examples` folder for additional examples. ```rust use chemfiles::{Trajectory, Frame}; fn main() { let mut trajectory = Trajectory::open("filename.xyz", 'r').unwrap(); let mut frame = Frame::new(); trajectory.read(&mut frame).unwrap(); println!("There are {} atoms in the frame", frame.size()); let positions = frame.positions(); // Do awesome things with the positions here ! } ``` ## Bug reports, feature requests Please report any bug you find and any feature you may want as a Github [issue]. [issue]: https://github.com/chemfiles/chemfiles.rs/issues/new