CTB Workflow 4.0
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Run on GalaxyCTB Unittest workflow
Associated Tutorial
This workflows is part of the tutorial Protein-ligand docking, available in the GTN
Thanks to...
Tutorial Author(s): Simon Bray
Steps
| ID | Name | Description |
|---|---|---|
| 11 | Compound Search | toolshed.g2.bx.psu.edu/repos/bgruening/openbabel/ctb_obgrep/0.1 |
| 13 | Remove duplicated molecules | toolshed.g2.bx.psu.edu/repos/bgruening/openbabel/ctb_remDuplicates/1.0 |
| 19 | Remove counterions and fragments | toolshed.g2.bx.psu.edu/repos/bgruening/openbabel/ctb_remIons/1.0 |
| 2 | Online data | toolshed.g2.bx.psu.edu/repos/bgruening/chemical_data_sources/ctb_online_data_fetch/0.2 |
| 29 | Filter | toolshed.g2.bx.psu.edu/repos/bgruening/openbabel/ctb_filter/1.0 |
| 30 | Compound Convert | toolshed.g2.bx.psu.edu/repos/bgruening/openbabel/ctb_compound_convert/0.1 |
| 31 | Molecules to Fingerprints | toolshed.g2.bx.psu.edu/repos/bgruening/chemfp/ctb_chemfp_mol2fps/0.2.0 |
| 39 | Natural Product | toolshed.g2.bx.psu.edu/repos/bgruening/natural_product_likeness/ctb_np-likeness-calculator/2.1 |
| 40 | Molecules to Fingerprints | toolshed.g2.bx.psu.edu/repos/bgruening/chemfp/ctb_chemfp_mol2fps/0.2.0 |
| 44 | NxN Clustering | toolshed.g2.bx.psu.edu/repos/bgruening/chemfp/ctb_chemfp_nxn_clustering/0.4 |
| 5 | Change Title | toolshed.g2.bx.psu.edu/repos/bgruening/openbabel/ctb_change_title/0.0.1 |
Version History
master
Creators and Submitter
Views: 34 Downloads: 2 Runs: 0
Created: 2nd Jun 2025 at 11:02
AttributionsNone
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Teams: Galaxy Training Network
Organizations: Galaxy
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The Galaxy Training Network (GTN) is a collection of hands-on tutorials that are designed to be interactive and are built around Galaxy.
These tutorials can be used for learning and teaching how to use Galaxy for general data analysis, as well as a wide array of hands-on tutorials covering specific domains such as assembly, RNA-Seq analysis, deep learning, climate analysis, and more!
