遇见数据集

SPNS2-S1P-Glucose Simulation Trajectories

收藏
Zenodo2026-02-25 更新2026-05-26 收录
官方服务:

资源简介:

This list contains the pdb, psf, and dcd files for three different systems of SPNS2, two in inward-facing (IF) conformation and one in outward-facing (OF) conformation: 1) IF with S1P, 2) IF with S1P and glucose, and 3) OF with glucose. The trajectories uploaded here are saved at 1 ns/frame (i.e., 1000 frames = 1000 ns). The trajectories are not pbc-wrapped or aligned. To load a trajectory, load vmdstate (.vmd file): File-->Load Vmdstate --> IF_8ex4_S1P_up_noG_1nspf_1000ns_Run1.vmd Or load the trajectories in VMD: mol new IF_8ex4_S1P_up_noG.psf mol addfile IF_8ex4_S1P_up_noG_1nspf_1000ns_Run1.dcd waitfor all

提供机构:
Zenodo
创建时间:
2026-02-25
二维码
社区交流群
二维码
科研交流群
商业服务