Dear Users of DUDE, DOCK Blaster and docking.org services generally:
First, we would like to take this opportunity to thank you for your interest in our work and your patience when things go pear shaped.
Second, we've had a series of unfortunate events over the last week that have led to interruptions in the DUDE decoy building service, and, because it uses it to make decoys, DOCK Blaster. As a result, jobs have been mysteriously hanging or dying.
We were down over the long weekend, beginning Sunday morning through early Monday morning in San Francisco. We are back up now. Thank you for your patience.
People ask "how can i download 100,000 (or more) custom ZINC molecules in say mol2 or SDF format" . Well, there's an old saying that goes, give a person a custom database and they'll dock for a day. Give them a wiki page that describes how to download arbitrary and arbitrarily large subsets in a format of their choosing and they'll dock for a lifetime. In that spirit, I give you http://wiki.uoft.bkslab.org/index.php/ZINC_via_curl you give the script a list of ZINC IDs as test.list. We split them up into chunks of 1000, and download each molecule separately.
We're just happy to tell you that we have not been down now for a whole day, and things seem to be working much better. Be sure to let us know if you have any trouble at all!
Dear docking.org fans
We are back up (8:30am in San Francisco) after at least 6 hours offline. A disk server had crashed, and our remote control scripts did not work.
Sorry for any inconvenience and thank you for your patience.
some services are backed up and appear not to be working. In fact, the queue is just very long until we repair a disk. Sorry for the trouble, and thank you for your patience.
I finally fixed fgfr1.tar.gz on the DUDE website. So sorry for this typo that led to the decoys in mol2 and SDF format for this target not being included in the distribution.
Dear Decoy fans
Our decoy maker got overloaded on Feb 28, and, after being politely nagged by people since then, we finally got around to resetting the machine today.
Decoys should now work again, as should DOCK Blaster which depends on making decoys.
If you submitted a request to our server that did not complete since Feb 27, we recommend you resubmit it. That is going to be by far the fastest way.
Dear docking.org users
We are having trouble with the decoy generator, and thus dude.docking.org/generate and DOCK Blaster are both currently getting stuck. Please be patient and we will try to have this resolved by tomorrow.