Large protein optimizations

ccsb-scripps / AutoDock-Vina

AutoDock Vina

http://vina.scripps.edu

Apache License 2.0

561 stars 199 forks source link

Large protein optimizations #293

Open jacktday opened 3 months ago

jacktday commented 3 months ago

Modelling of whole proteins is problematically slow. This change allows a fairly old laptop to calculate the maps for GPCRs in seconds to minutes. It would hang for 10s of minutes before this change.