Acknowledgements

gorder would not exist without the groundwork laid by many people across many projects. We extend our gratitude to the following:

  • The team behind the NMR Lipids project, whose deposited structures and trajectories were used in the validation of the order parameters and the testing of the analyses.

  • Patrick Fuchs and other developers of buildH, whose incredibly detailed documentation has allowed the calculation of united-atom parameters to actually be reliable.

  • Helgi Ingólfsson and Alex de Vries, who wrote the do-order script, which served as the foundation for calculating coarse-grained order parameters.

  • Sébastien Buchoux, the developer of the FATSLiM package, which was an inspiration for dynamic membrane normal calculations.

  • Marieke Westendorp, the developer of the molly crate, which is the main reason gorder is so fast.

  • Guillaume Fraux and other developers of the chemfiles library, which enables gorder to read multiple trajectory file formats.

  • The developers of the Rust language and many of its crates, without which this project would be painful to complete.

  • The many people who contributed to the methodology of molecular dynamics simulations and their analysis over the years.