autodock_vina
Program for drug discovery, molecular docking and virtual screening
AutoDock Vina is a new open-source program for drug discovery, molecular docking and virtual screening, offering multi-core capability, high performance and enhanced accuracy and ease of use. [1] AutoDock Vina has been designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab at The Scripps Research Institute. If you used AutoDock Vina in your work, please cite: O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading Journal of Computational Chemistry 31 (2010) 455-461
homepage ↗ github: ccsb-scripps/AutoDock-Vina
Available in
| Overlay | Newest | Ebuilds | Last activity | |
|---|---|---|---|---|
| gentoo gitweb ↗ | 1.2.7 | 1 | 16 h | details › |
Versions & arches
Use flags of 1.2.7
- debug Enable extra debug codepaths, like asserts and extra output. If you want to get meaningful backtraces see https://wiki.gentoo.org/wiki/Project:Quality_Assurance/Backtraces