Directory Structure

The general structure of the output-files folder is described here about VirtualFlow in general.

In the case of VFVS, the output-files/incomplete and output-files/complete folders. These folders contain for each docking scenario the following sub-folders:

  • results

  • summaries

  • logfiles

  • ligand-lists

The results folder contains the original docking output files of the docking programs in the VirtualFlow database format as described here.

The summaries folder contains summaries of the docking scores for each compound.

The log-files folder contains the logging output files of the docking programs,.

The ligand-lists folder if enabled in the control file via the keep_ligand_summary_logs option contains some workflow-related information for each ligand, in particular which processing steps where successful and how long time each step has taken for each ligand.

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