Search results

...For this, we have started using [[github |git and github]] as a revision control and software distribution platform. == Integration of DOCK Blaster job queues ==

Unfortunately, we were unable to run your DOCK Blaster job starting from a PDB code alone. ...tically find a ligand to use to identify the binding site, and to use as a control for automated docking.

...ing a docking program installed on your local computer gives you much more control that we can possibly offer with DOCK Blaster. What is the motivation for DO ...as possible. There are several mechanisms that can give an expert greater control than that afforded by the basic graphical user interface. The expert.tar in

...ne tuning on the user's machines, or to continue the calculation with less control on our servers. == Sub-actions for operating on a docking job ==

Hippocampal mineralocorticoid receptors play a major role in the control of the hypothalamus-pituitary-adrena (HPA) axis, and thus MR is a target fo [[Image:DBtut1_1f.jpg|thumb|right|Figure T1.1 - Prepare input and launch job]]

==Job Control== *Submit a parallel job to the cluser

The preparer assists you in preparing a job. Here you upload your data to the DOCK Blaster server. For more information Your job has been submitted to the queue, but has not yet started. It will start as

...ollow the progress of a job after submitting it, please see [[DOCK Blaster:Job Management]]. [[DOCK Blaster:Sample Data |Sample data]] are available if yo ...databases (e.g. lead-like, fragment-like) may only be docked after initial control calculations have completed successfully.

...optimize the protonation state of the binding site residues or allosteric control points manually. ...can check the box to output interaction analysis at the completion of the job. Instead of clicking run, click the gear to the left of the run button and

2319 - 2bhe - pdb files - cal report "special case with no ligand control" - cal. runs - only extrema and random Browse Jobs page - headings, e.g. Job ID are linked, is clicking on the links supposed to sort by that column or

Job for postgresql-10.service failed because the control process exited with error code. See "systemctl status postgresql-10.service

# if set to false SMF will not control SGE services # For monitoring and accounting of jobs, every job will get

echo "kill with control c." echo "To view whether job was submitted and running use qstat"