Monitoring the Workflow

The workflow can for instance be monitored by the command vf_report.sh.

To get information about the workflow in general, within the tools folder one can run

./vf_report.sh -c workflow

Please note that the numbers in the Ligands and Dockings sections only consider the completed collections. Collections currently in processing are not included yet in these counts.

To get preliminary virtual screening results for the docking scenario qvina02_rigid_receptor1, one can run the command (within the tools folder):

./vf_report.sh -c vs -d qvina02_rigid_receptor1 -n 10

The -n option here specifies that we would also like to have the top 10 compounds listed.

[For more information about monitoring the workflow in general, see the corresponding section in the documentation.]