Jojoba (Simmondsia chinensis) LDAP1 facilitates the efficient packaging of wax esters into lipid droplets

Input structures for a manuscript, along with selected output data and structures. This directory structure contains a cut-down copy of the directories used to generate the simulation data and the analysis. In order to make this fit into the 50GB Zenodo limit, it was constructed with the following tar command: tar -zcvf LDAP1.tar.gz  --exclude="*BAK" --exclude="*#" --exclude="*log" --exclude="*xsc" --exclude="*coor" --exclude="*vel" --exclude="*[0-9].out" --exclude="*old" --exclude="*dcd" --exclude="*tmp" --exclude="*ppm" --exclude="*png" --exclude="*pdf"  --exclude="*catchy*" --exclude="*svg" --exclude="*restart*" --exclude="*history" --exclude="core.*" --exclude="FFTW_NAMD*" --exclude="*avi" --exclude="*mp4" --exclude="*dimer*" --exclude="models" LDAP1

The data is split into two directories initially "build" and "Simulations"

"build" directory is the part where initial system for bilayer and lipid droplet simulation were build.

"Simulations" directory has the different namd files for running simulation, and a sub folder of "Analysis" contains script for analysis of the simulation trajectory.

本数据集包含某投稿稿件的输入结构，以及精选的输出数据与对应结构。该目录结构为生成模拟数据与开展分析所用目录的精简副本。为适配50GB的Zenodo存储限额，我们通过下述tar命令构建了本压缩包：tar -zcvf LDAP1.tar.gz --exclude="*BAK" --exclude="*#" --exclude="*log" --exclude="*xsc" --exclude="*coor" --exclude="*vel" --exclude="*[0-9].out" --exclude="*old" --exclude="*dcd" --exclude="*tmp" --exclude="*ppm" --exclude="*png" --exclude="*pdf" --exclude="*catchy*" --exclude="*svg" --exclude="*restart*" --exclude="*history" --exclude="core.*" --exclude="FFTW_NAMD*" --exclude="*avi" --exclude="*mp4" --exclude="*dimer*" --exclude="*models" LDAP1

本数据集初始分为两个目录："build"与"Simulations"。
其中"build"目录用于构建双层膜与脂滴模拟的初始系统。
"Simulations"目录包含用于运行模拟的各类NAMD文件，其子目录"Analysis"则存放用于分析模拟轨迹的脚本。