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userupload [2012/11/07 15:05] rkissuserupload [2013/02/07 15:43] (current) sanmark
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 ====== User collections ====== ====== User collections ======
  
-{{:upload_click.png?800|}}+{{:upload_click.png?700|}}
  
 Users can create collections of user molecules by clicking on the "Molecule upload" button under the "Collections" tab. This feature opens the door to most search and screen functionalities on user uploaded molecules. Note that some advanced tools offered in [[subscriptionpackages|subscription packages]] cannot be used on user uploaded molecules. You can basically upload any virtual molecule library or your in-house molecule database. Please note that user uploaded molecules are currently not processed by the [[regsys|mcule structure registration system]]. Consequently, uploaded molecules will not be associated with MCULE IDs. They will be handled separately and will get "S" (structure, e.g. S-16992987) or "C" (conformer, e.g. C-71293984) IDs. Users can create collections of user molecules by clicking on the "Molecule upload" button under the "Collections" tab. This feature opens the door to most search and screen functionalities on user uploaded molecules. Note that some advanced tools offered in [[subscriptionpackages|subscription packages]] cannot be used on user uploaded molecules. You can basically upload any virtual molecule library or your in-house molecule database. Please note that user uploaded molecules are currently not processed by the [[regsys|mcule structure registration system]]. Consequently, uploaded molecules will not be associated with MCULE IDs. They will be handled separately and will get "S" (structure, e.g. S-16992987) or "C" (conformer, e.g. C-71293984) IDs.
  
-{{:upload2.png?800|}}+{{:upload2.png?700|}}
  
 Currently, the maximum number of uploaded molecules in the [[freepackage|Free package]] is 500. If you would like to change this limit, click on the "Increase your limit" button. Currently, the maximum number of uploaded molecules in the [[freepackage|Free package]] is 500. If you would like to change this limit, click on the "Increase your limit" button.
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 The collection is public, it will be listed among the “Public collections” under the “Collections” tab, and it can be selected as input collection for any searches and screens. The collection is public, it will be listed among the “Public collections” under the “Collections” tab, and it can be selected as input collection for any searches and screens.
  
-After uploading the molecules the user collection is created. Please note that it might take significant time to create properties and fingerprints for each uploaded molecule which are necessary for enabling the searching/screening functionalities. After the uploading and preparation processes have been finished the user collection will become available under the "Collections" tab as well as it can be selected as an Input collection of any searches and screens.+{{:ustruct2.png?700|}} 
 + 
 +After uploading the molecules the user collection is created. Please note that it might take significant time to generate properties and fingerprints for each uploaded molecule, but this is necessary for enabling the searching/screening functionalities. After the uploading and preparation processes have been finished the user collection will become available under the "Collections" tab as well as it can be selected as an Input collection of any searches and screens. When clicking on the "Load report" link, a short report about the percentage of successfully uploaded molecules will be displayed. Uploaded structures and conformers will be displayed as "u. structures" and "u. conformers" respectively. 
userupload.1352300757.txt.gz · Last modified: 2012/11/07 15:05 by rkiss