ZINC:Command language

You can control ZINC-12 remotely by hand writing URLs. This document is a guide to how to use them.

This is version 1 of the command language (July 1, 2011). We anticipate a version 2 (fall 2011), which will have a slightly different syntax. Just FYI.

Queries

Structure

structure[similarity]=n where 0<=n<=1
structure[smiles]=smiles
structure[smiles]=name

Example:

http://zinc12.docking.org/search/results.php?structure[smiles]=cetirizine&structure[similarity]=1.0

Vendor

catalog[purchasability][]=n where 0=not for sale, 1=0-2 week delivery, 2=6-10 week delivery, 4=expensive

Annotation

annotation[swiss_prot]=Q9R297
annotation[uniprot]=HRH1_HUMAN

Prediction

prediction[swiss_prot]=Q9R297
prediction[uniprot]=HRH1_HUMAN

Reports, Formats, Filters

page[format]=X where X = sdf, mol2, smi, Flexibase
page[filter]=X where X= usual, single, metal, all, ref, mid, hi, lo