We help you discover chemistry for your biological targets.

things seem to be working

We cleaned up the disk, and jobs (by the hundreds) have been going through as usual. If I have forgotten you, please write me and remind me and I will try to respond.

Disk full, all docking jobs are crashing. Working to clear the disks

Dear website docking fans:

Our disks filled up while I was doing something else. We are working to clear enough space to get things running again.

More news in 24 hrs.

Thanks for your patience.

John

To everyone who has been writing me about their jobs stuck at "Calibration docking queued"

I am sorry for being so slow. The jobs have been stuck in the queue since May 8th. I just released them a minute ago. The queue had gotten stuck. In fact the job actually ran, it just didn't update in the interface. Embarrassing.

I am sorry for being in attentive. And for not responding to your emails more promptly.

Your job _should_ be now where you left it. If it is not, please

a. run it again
b. wait 24 hours
c. if not done, email me and I promise to be a better correspondent.

John

5/20 outage

It seems I only write here when things go wrong. Anyway, we had a small outage this evening (Weds May 20). ZINC is back up as of 8pm in San Francisco. We think we were down for a couple of hours.

Thanks to Magdalena and Matt for their help!

--John

small outage

Hi - We've had a small outage in the DOCK Blaster queue. This means that some jobs did not run properly. If you had a job active in the last couple of days that did not run correctly please re-submit it. We just fixed the problem (one rogue computer on the cluster) a few minutes ago.

John

seen in the wild: Dock 3.6

Seen on the back of a car, sent in by alert driver, former lab member and first author of Babaoglu J Med Chem 2008 among many other gems, Kerim Babaoglu.

We are now on the lookout for a car with a 3.7 or a 6.7 liter engine. :)

docking and decoys have been slow the last 48 hours

Owing to a licensing problem, some jobs have been stuck in the queue for 48 hours. I just released them a few minutes ago. DUDE decoy jobs should all go through, but some DOCK Blaster jobs may need to be resubmitted.

It is 11am in San Francisco right now. The backlog should be cleared by noon. If you don't get the result you were hoping for, step 1 is to resubmit, then wait 24 hrs, then email me if you're still having trouble.

-- John

DOCK Blaster and ligand upload fixed (again)

Dear patient docking.org fans

I am getting a little tired of telling you that I have fixed another problem, but that is the only way to be clear. There was a problem from Feb 12th to March 23rd that meant that molecule upload and by extension, docking runs that depending on molecule upload did not work correctly. It is very embarrassing, but it is solved.

Molecule upload, both separately and as part of DOCK Blaster, have been tested and work again.

One big problem fixed

We fixed one problem today (a rogue server that was not behaving).

Things should be working better now, but I'm going to take 24 hrs to look closely.

The workaround is always the same: if your job did not work, and you submitted it prior to Tues March 3rd at 5pm San Francisco time, please re-submit it, and accept my regrets.

John

-- sent from my iZINC

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