Virtual Screening Workflow (DEPRECATED)

The Virtual Screening Workflow is designed to run an entire sequence of jobs for screening large collections of compounds against one or more targets. The workflow includes ligand preparation using LigPrep, filtering using ligfilter on QikProp properties or other structural properties, and Glide docking at the three accuracy levels, HTVS, SP, and XP. The design allows you to choose which of the stages to include in any run, and which selection of results from one stage are passed on to the next.