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usecasestrbased [2013/10/09 19:57] – rkissusecasestrbased [2013/10/09 20:03] – rkiss
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 2. Select the input collection if other than all **[[purchasable|Purchasable compounds]]** of the Mcule database 2. Select the input collection if other than all **[[purchasable|Purchasable compounds]]** of the Mcule database
  
-3. The loaded template workflow includes a number of individual workflow steps that will be executed sequentially on the input collection. You can make adjustments to the parameters of the individual workflow steps. Detailed description of the available workflow steps and their parameters can be found **[[tools|HERE]]**.+3. The loaded template workflow includes a number of individual workflow steps that will be executed sequentially on the input collection. You can adjust the parameters of the individual workflow steps. Detailed description of the available workflow steps and their parameters can be found **[[tools|HERE]]**.
  
-4. Try and set different property ranges in the **"Basic property filter"** step. Click on **"+ ADD CONDITION"** to add another **"Condition"**, and click on the **"X"** button next to a **"Condition"** to remove it.+4. Try to set different property ranges in the **"Basic property filter"** step. Click on **"+ ADD CONDITION"** to add another **"Condition"**, and click on the **"X"** button next to a **"Condition"** to remove it.
  
-5. Set the target for the Docking (Vina). You can upload a PDB file (3D structural data for your target) or search by keyword and select from ~10,000 prepared target structures.+5. Set the target for the **"Docking (Vina)"** workflow step. You can upload a [[http://en.wikipedia.org/wiki/Protein_Data_Bank_(file_format)|PDB]] file (3D structural data for your target) or search by keyword and select from ~10,000 prepared target structures.
  
 6. You can also add new workflow steps by clicking on the **"ADD WORKFLOW STEP"** button on the right at the end of the workflow. Detailed description of the available workflow steps can be found **[[tools|HERE]]**. 6. You can also add new workflow steps by clicking on the **"ADD WORKFLOW STEP"** button on the right at the end of the workflow. Detailed description of the available workflow steps can be found **[[tools|HERE]]**.
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 7. After finalizing your workflow, you can set the **"Name"** and **"Description"** of the output collection and the **"Maximum hits"**. If you don't want to limit the number of hits in the output, you can delete the number from this field. Note that the maximum number of molecules in a single collection is limited and it depends on your **[[http://mcule.com/pricing|Price Plan]]**.. 7. After finalizing your workflow, you can set the **"Name"** and **"Description"** of the output collection and the **"Maximum hits"**. If you don't want to limit the number of hits in the output, you can delete the number from this field. Note that the maximum number of molecules in a single collection is limited and it depends on your **[[http://mcule.com/pricing|Price Plan]]**..
  
-8. Click on "RUN"+8. Click on **"RUN"**
  
 9. Results will be generated and displayed on-the-fly 9. Results will be generated and displayed on-the-fly
usecasestrbased.txt · Last modified: 2014/01/01 15:26 by flack