buildESES Input
extensionUser guide
ESES is a software to generate the accurate solvent excluded surface (SES) in the Cartesian grid. It is an open source code and can be downloaded at Weilab on GitHub
Your result is a zip file including
- ESES.log: a log file of ESES software
- MC_result.obj: a surface representation can be visualized by molecular sofwares such as PyMOL.
- bounding_box.txt, grid_info.txt, intersection_info.txt: provide grid related information of the surface in the Cartesian coordinate system.
local_libraryReferences
1 Beibei Liu, Bao Wang, Rundong Zhao, Yiying Tong and Guo-Wei Wei, ESES: software for Eulerian solvent excluded surface, Journal of Computational Chemistry, 38, 446-466 (2017). View
2 Rundong Zhao, Menglun Wang, Yiying Tong and Guo-Wei Wei, Divide-and-conquer strategy for large-scale Eulerian solvent excluded surface, Communications in Information and Systems, 18, 299-329 (2018) View
2 Rundong Zhao, Menglun Wang, Yiying Tong and Guo-Wei Wei, Divide-and-conquer strategy for large-scale Eulerian solvent excluded surface, Communications in Information and Systems, 18, 299-329 (2018) View
perm_contact_calendarContact Information
Contact us : wei at math.msu.edu
Webmaster : ddnguyen at math.msu.edu, menglungwang at gmail.com