We help you discover chemistry for your biological targets.

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.


-- sent from my iZINC

We know there are problems on our server

We are aware there are problems with DOCK Blaster, DUDE, and molecule upload. We are working on them. It may be a couple of days before we can put everything right. Sorry for any inconvenience.

We had an accident this morning on the cluster

No one was hurt, but all jobs currently running were lost.

We are very sorry for any inconvenience caused. We will change our procedures so that this does not happen again. It was my fault, basically a bad typo with no backup made first.

--- John


I am going to work on docking.org for my recent synthesised compounds , fenobam's analouges.

power outages now over

It has been a busy week. Three power outages in as many days. Whew!

We were down overnight due to power outages beyond our control. We are now back up and running and all should be as it was. If you've had any trouble, step 1 is to try to repeat what you did. If the problem persists, please contact us!

Thanks for your interest in and support of our work at docking.org

-- John

minor outages

Dear Fans

We had a little outage this afternoon, owing to an enthusiastic user finding a way to download too much, too fast.

In an hour, we are shutting down operations overnight in preparation for a planned power outage. We will be back before noon tomorrow. We really hate to go off line, but it is for the safety of the equipment.

Thanks for your understanding.

docking.org team

one hour outage this morning

docking.org was wobbly or down for three hours this morning after a surprise ("surprise!") test of emergency power went pear shaped. We believe everything is back up and normal now. Please let us know if anything does not seem to be working (more than usual).

-- John

DataWarrior as a very cool molecule dataset analysis tool

DataWarrior is a free cheminformatics program for data visualization and analysis. Kudos to Actelion Pharmaceuticals Ltd for making this amazingly powerful tool available. And did I mention it is free?


Just wow.

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