Blogs

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.

ZINC was down briefly early in the morning on the 4th of July

Up now.

DOCK Blaster trouble, last 2 weeks or so

Dear patient and kind DOCK Blaster users

Due to a typo pointing to a missing file, all the jobs submitted in the past two weeks or so have been hanging indefinitely. Obviously I need to do more testing when I start introducing new features to make sure the existing code still works. very sorry!

Please resubmit your jobs and let me know if you have any more problems.

I will be more careful going forward.

John

website back online

Dear docking.org fans:

Our server was down early Monday morning. Service resumed approximately 6:30am San Francisco time.

We are grateful to the alert and kind ZINC users who brought this to our attention while we were sleeping.

John

Fun videos about InChIs

We plan to release a version of ZINC that supports InChI and InChIkeys this fall. In the meantime, here are some fun youtube videos about InChI.

1. What on Earth is InChI?
http://www.youtube.com/watch?v=rAnJ5toz26c

2. The Birth of the InChI
http://www.youtube.com/watch?v=X9c0PHXPfso

3. The Googlable InChIKey
http://www.youtube.com/watch?v=UxSNOtv8Rjw

4. InChI and the Islands
http://www.youtube.com/watch?v=qrCqJ0o4jGs

Making some changes to DOCK Blaster today FYI

Dear DOCK Blaster users

I am making some changes to DOCK Blaster today and tomorrow (May 28 and 29). I'm trying as much as possible to make these invisible, but it is a live system. Thus I'm posting this warning. If things seem broken (more broken than usual!) please wait an hour and try again. If still not working, please write me, being as specific as possible, and I'll do what I can to put it back the way it was before.

John

docking.org accounts are free

docking.org accounts are free and give you extra features in ZINC, DUDE and soon other programs. We try to approve them promptly, usually within 48 hours, often less. One person applied recently, and I goofed and deleted the account by accident, losing all the info. If you applied and did not get an approval letter, please try again, and accept my apologies for deleting you the first time. John

ChEMBL 16 was released today

ebi.ac.uk/chembl

Better, faster, stronger.

Amazing turnover in the chemical marketplace

Dear ZINC Fans

Enamine, http://enamine.net, the single biggest contributor to ZINC, just released an update of their REAL (make on demand) library this month. Naturally, like all vendor catalogs, we will update it promptly in ZINC. It will take a little time, however, since this catalog contains 25.5 million compounds. Among these, only 1.6 million have even partial stereochemistry specified. After stereochemical enumeration of up to four implied stereoisomers, this could easily result in over 50M new compounds in ZINC. Hurray!

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