After VFVS, I’ve got the top 50,000 compounds and they are They are stored in a folder called dockingsposes, but how to creat meta-tranches files by using this dockingsposes file.
Here are the two commands to get the dockingsposes file :
head -n 50000 …/…/ranking/qvina02_rigid_site1/firstposes.all.minindex.sorted.clean > compounds
vfvs_pp_prepare_dockingposes.sh …/…/…/output-files/complete/qvina02_rigid_site1/results/ meta_collection compounds dockingsposes overwrite
Wish eagerly to get everybody’s help!