DOCK Blaster:Progress Bar
The DOCK Blaster Progress Bar tells you where you are in the docking pipeline by coloring your current stage in yellow.
There are six stages, some with several substages, as follows: Preparer, Scrutinizer, Target Preparation, Calibration, Docking, and Results.
Preparer
The preparer assists you in preparing a job. Here you upload your data to the DOCK Blaster server. For more information about the data formats, please see Prepare Input.
Scrutinizer
This is the page you see immediately after pressing the "DOCK" button. Your data are uploaded to the server, and the Scrutinizer checks the data for consistency. For more information about the Scrutinizer, and the many ways it can complain about your data, please see Scrutinizer.
Target Preparation
This stage prepares "hot spots" (aka "orientation spheres") and precalculates scoring grids. It also prepares libraries of compounds for calibration calculations. There are three sub-stages of target preparation: Queued, Running, and Done.
Queued (Q'd)
Your job has been submitted to the queue, but has not yet started. It will start as soon as system capacity allows.
Running
Your job is running, or at least, it has not reported as having ended.
Done
Target preparation has ended normally. Normally, the calculation proceeds directly into calibration, so it is rare to be at this stage.
Calibration
Calibration is the process of performing control calculations to investigate whether docking is "working" against your target. More info needed here.
Queued
Your calibration jobs are queued and will start when system resources allow.
Running
Your calibration jobs are running.
Done
Your calibration jobs have ended. This is the stage where your input is required, prior to full database docking. View the calibration results, pick the best conditions, satisfy yourself that docking is working, and then launch a database docking job.
Docking
This is when real database docking is done.
Queued
Your docking job is queued.
Running
Your docking jobs are running.
Results
Your docking jobs have ended. You may now look at the results.