Dock my own molecules

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How do I dock my own molecules using DOCK Blaster?


You can dock sets of 1000 ligands at a time by uploading them to ZINC. Three easy steps.

Use the upload feature of ZINC

http://zinc8.docking.org/upload.shtml (1000 molecules at a time max) We recommend SMILES, one per line, with your own identifier separate by whitespace.

Wait for the upload to process. May take a few minutes, or could be longer due to server load.

In DOCK Blaster, select your subset on the "job watch" page

Database type: User-uploaded subset Database #: the number of the uploaded subset given in Step 1.

You can do this as many times as you like.


DOCK Blaster:FAQ