Workflows

These workflows are associated with Protein-ligand docking

To use these workflows in Galaxy you can either click the links to download the workflows, or you can right-click and copy the link to the workflow which can be used in the Galaxy form to import workflows.

CTB Workflow

Last updated May 28, 2020

Launch in Tutorial Mode
License: None Specified, defaults to CC-BY-4.0
Tests: ❌ Results: Not yet automated

Download Galaxy Workflow.ga Galaxy Main Galaxy Australia Galaxy Europe Galaxy France Import to another server (≥23.0+ only!) 
flowchart TD
  11["Compound Search"];
  5 -->|outfile| 11;
  13["Remove duplicated molecules"];
  5 -->|outfile| 13;
  19["Remove counterions and fragments"];
  13 -->|outfile| 19;
  2["Online data"];
  29["Filter"];
  19 -->|outfile| 29;
  30["Compound Convert"];
  19 -->|outfile| 30;
  31["Molecules to Fingerprints"];
  19 -->|outfile| 31;
  39["Natural Product"];
  29 -->|outfile| 39;
  40["Molecules to Fingerprints"];
  29 -->|outfile| 40;
  44["NxN Clustering"];
  40 -->|outfile| 44;
  5["Change Title"];
  2 -->|output| 5;

Importing into Galaxy

Below are the instructions for importing these workflows directly into your Galaxy server of choice to start using them!
Hands-on: Importing a workflow
  • Click on Workflow on the top menu bar of Galaxy. You will see a list of all your workflows.
  • Click on Import at the top-right of the screen
  • Provide your workflow
    • Option 1: Paste the URL of the workflow into the box labelled “Archived Workflow URL”
    • Option 2: Upload the workflow file in the box labelled “Archived Workflow File”
  • Click the Import workflow button

Below is a short video demonstrating how to import a workflow from GitHub using this procedure:

Video: Importing a workflow from URL