Download ZINC15 by catalog

Dear ZINC Fans

An important missing feature in ZINC15 has been the ability to download dockable libraries by catalog.

Today, we are announcing a new feature that gives you a lot of flexibility to download 3D models for docking.

Please read more here: http://files.docking.org/catalogs/

We are preparing the files in increasing order of size. All small catalogs < 100,000 molecules are ready. We expect catalogs under 1,000,000 molecules will be ready by the weekend. Larger catalogs will take longer.

Please
* consider using libraries by property (the Tranche Browser)
* tell us WHY you wish to dock by catalog and not by properties (lead-like, fragment-like)

Thanks

-- John

Comments

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getfiles.csh isn't user friendly enough. >.<

Hi,

I'm trying to download all compounds in ZINC15 database. I navigated http://files.docking.org/catalogs/ and tried to use the getfiles.csh, but steps 2 and 3 are not really easy to understand.

In addition, I don't think http://files.docking.org/catalogs/1/bitterdb/frag-like/ is valid. And I'm totally lost on step 3.

Yip Yew Mun (Dr) | Research Fellow | Division of Chemistry & Biological Chemistry
School of Physical & Mathematical Sciences | Nanyang Technological University | Singapore 639798
Tel: (+65) 97967803 | Email: yipy0010@e.ntu.edu.sg | GMT+8h

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