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 of the output of the vf_report.sh command 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.]