All notable changes to this project will be documented in this file.
The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.
- @ChenouZhang
- @frank-volcano
- @orbeckst
- parallelization of analysis (#4, PR #7)
- reshape results.area_per frame (#3, PR #12) results.area_per frame now produces 2D array of shape N_FRAMES * N_SLICES
- Add output args for times and frames. (#13, PR#14)
- By default, the code now write times and frames to file.
@ChenouZhang
Initial public release of Protein_Area package with base functionality for calculating the in-membrane area of a membrane protein from explicit solvent MD simulations via 2D Voronoi tesselation.