slowly getting back to normal

Dear fans:

We got hit with a double whammy yesterday, Weds Nov 13 around 8:30am San Francisco time.

First, there was an emergency power test that failed, and as a result, all our machines had a hard stop. But more importantly, one of our central ethernet switches broke. We were completely off line for about 8 hours during the day. We spent most of the day getting the switch configured, and then looking at all the other problems that were caused by the sudden power outage. By the end of the day many things were back to normal, but not all.

DOCK Blaster and "zinc11" upload problems, last 3 days

Dear patient users

For the last three days (Nov 6,7,8 until now many things at have been quietly failing. This was due to a minor typo (missing single quote) that had escaped my notice.

Please re-submit / re-upload and let me know if problems persist.

I will be more diligent about testing each and every change, however minor.


If you are near London UK on Nov 15

Will be held in London UK on Nov 15, 2013.

Title is "Tools and Strategies to Find Chemical Probes for Your Protein - The Role of Computer-Aided Drug Discovery"

This workshop is FREE to members of the Biochemical Society and the Royal Society of Chemistry, and reasonably priced for everyone else.

Be there aloha.

DOCK Blaster was broken for about 2 hours day, 11 am to 1 pm San Francisco time (Aug 20)

We think we fixed it, still testing. Symptom was the ligand control would not dock "DOCK failure". This could be among the shortest DOCK Blaster outages on record.

We have exciting new stuff in the pipeline, just submitting the paper, and once accepted, you'll be able to see it.


We're back

license updated. Service returning to normal. Thanks for your patience.

OpenEye license has expired, trying to get it renewed

Dear fans

Our OpenEye license has expired, and so a lot of things are currently broken. We are working with OpenEye to get this sorted out quickly, and hope to be back to normal working conditions very soon.


Compound Image

Is there any way to download the 2D images of compounds? I only see options to download .smi, .mol2, .sdf,...

I want to automatically download the images of several compounds.

Thank you,
-Faezeh Salehi

I think DOCK Blaster is fixed

Hi DOCK Blaster fans

I believe DOCK Blaster is working now. I am so sorry about the recent trouble.

I will go through all my mail as I continue testing for the next 24 hours. However, by far the simplest solution is to resubmit any job that has had trouble, and, if there is still trouble, then let me know again.

So, 24 hours of testing, and then I'll let you know if I still think it is fixed.

I will also reply to all the other questions about libraries etc.


yes, I broke DOCK Blaster again over the weekend

It probably was on Saturday, while trying to introduce improvements. I am working assiduously to restore service today. Thank you for your patience.

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