d-SEAMS (Deferred Structural Elucidation Analysis for Molecular Simulations), a free and open-source post-processing engine for the analysis of molecular dynamics trajectories, which is specifically able to qualitatively classify ice structures, in both strong confinement and bulk systems.
The objective of my project was to create Python bindings to the seams-core C++ engine of d-SEAMS. I named my bindings repository and project as pyseams with the importable name cyoda in keeping with yodaStruct and yodaLib from d-SEAMS. The d-SEAMS project provided lua bindings which many users may find difficult. I wrote bindings with pybind11 for the functions and classes present in d-SEAMS. Each basic example has it's own file in pyseams, which users can run. Initially, d-SEAMS didn't support the latest version of Macos but I worked to ensure M1-Macos users can use d-SEAMS as well.
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