Input data for "Atomic View of Photosynthetic Metabolite Permeability Pathways and Confinement in Cyanobacterial Carboxysomes"

This is the reduced data behind an upcoming manuscript investigating metabolite permeability across synthetic caboxysome shells. The data is taken directly from the directory structure that contains both the simulation and analysis, with excluded trajectory files and intermediate products to fit within the zenodo upload limit.The tar command used to generate the tarball carboxysome.tar.gz containing the all-atom MD input:

tar --exclude="*rep*" --exclude="*dcd" --exclude="*xtc" --exclude="*BAK" --exclude="*#" --exclude="*old" --exclude="*ppm" --exclude="*tga" --exclude="*png" --exclude="*mp4" --exclude="*core*" --exclude="*Benchmarks*" --exclude="*mpg" --exclude="*BMCHex*" --exclude="*out" --exclude="*svg" --exclude="*vmd" -zcvf carboxysome.tar.gz Carboxysome

The tar command used to generate the tarball crowdedbmc.tar.gz containing the Atomic Resolution Brownian Dynamics (ARBD) input:

tar --exclude="*dcd" --exclude="testvolmap" -zcvf crowdedbmc.tar.gz crowdedbmc