[Dock-fans] create library for virtual screening from ZINC

LIU Changdong dongyi2827 at yahoo.com.hk
Wed Jan 11 00:30:29 PST 2012


Dear DOCK fans,


  I'm just preparing a library for virtual screening from ZINC.

 I'm using the search function on the ZINC website to search the compounds which I need, my question is:

1) after pressing "run query", there's only 1 page( for example 100 for 1 page), how can I know how many compounds I got based on my criteria.
2) How can I download all the compounds which I need, every time I can only download   500 compounds in mol2 format.

Thanks in advance for any help!

Best
Dong
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