DOCK Blaster:Custom Database: Difference between revisions

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custom database page
There are two kinds of custom database supported by [[ZINC]]: user uploads and user subsets.
= User Uploads =
Sometimes, the molecules you want to dock are not in ZINC. To load your own molecules, go to
http://zinc8.docking.org/upload.shtml and browse to load your molecules in SMILES (best), mol2 or SDF format. Click on "upload & build" and then wait while we process your molecules.
 
 
= User Subsets =
Sometimes, you want to download more than 500 molecules matching certain criteria. To do this, you must create a subset. To create a subset, click on "Create Subset" in the ZINC Results browser, which you reach after performing a search using the [http://zinc8.docking.org/choose.shtml | ZINC Search Tool]. . You will be assigned a number for your subset. Wait a little while, then browse and download your subset.
 
 
[[Category:ZINC]]
[[Category:Subsets]]
[[Category:DOCK Blaster]]
[[Category:NEED ATTENTION]]

Latest revision as of 22:06, 4 January 2019

There are two kinds of custom database supported by ZINC: user uploads and user subsets.

User Uploads

Sometimes, the molecules you want to dock are not in ZINC. To load your own molecules, go to http://zinc8.docking.org/upload.shtml and browse to load your molecules in SMILES (best), mol2 or SDF format. Click on "upload & build" and then wait while we process your molecules.


User Subsets

Sometimes, you want to download more than 500 molecules matching certain criteria. To do this, you must create a subset. To create a subset, click on "Create Subset" in the ZINC Results browser, which you reach after performing a search using the | ZINC Search Tool. . You will be assigned a number for your subset. Wait a little while, then browse and download your subset.