DOCK Blaster:Custom Database: Difference between revisions

From DISI
Jump to navigation Jump to search
No edit summary
No edit summary
 
(3 intermediate revisions by 3 users not shown)
Line 1: Line 1:
There are two kinds of custom database supported by ZINC: user uploads and user subsets.  
There are two kinds of custom database supported by [[ZINC]]: user uploads and user subsets.  
= User Uploads =  
= User Uploads =  
Sometimes, the molecules you want to dock are not in ZINC. To load your own molecules, go to  
Sometimes, the molecules you want to dock are not in ZINC. To load your own molecules, go to  
http://zinc8.docking.org/uploads.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.  
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 =  
= 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. You will be assigned a number for your subset. Wait a little while, then browse and download your subset.
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:ZINC]]
[[Category:Database subsets]]
[[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.