DOCK Blaster:Custom Database: Difference between revisions
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custom database | 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.