Published February 7, 2024 | Version v1
Dataset Open

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

Creators

  • 1. MSU-DOE Plant Research Laboratory
  • 2. ROR icon Michigan State University
  • 3. ROR icon University of Illinois Urbana-Champaign
  • 4. Lawrence Berkeley National Laboratory

Description

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

Files

Files (19.6 GB)

Name Size Download all
md5:a18eae472e2f5fb3b45084b86c253100
17.8 GB Download
md5:649c89c9b46de9b15a800c328a9b2dca
1.8 GB Download

Additional details

Software

Programming language
Tcl, Python, Shell