CTB Workflow
Visit source
Download RO-CrateCTB Unittest workflow
Associated Tutorial
This workflows is part of the tutorial CTB Workflow, 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
4.0 (latest) Created 16th Jul 2024 at 14:04 by Helena Rasche
Added/updated 4 files
Open
master85c8a06
6.0 (earliest) Created 25th Jun 2024 at 10:54 by Helena Rasche
Added/updated 4 files
Frozen
6.0c56df59
Creators and Submitter
Views: 461 Downloads: 129
Created: 25th Jun 2024 at 10:54
Last updated: 25th Jun 2024 at 10:54
AttributionsNone
Related items
https://orcid.org/0000-0001-9760-8992
Teams: Testing, Finn's test team, PNDB, LifeMonitorDev, iPC: individualizedPaediatricCure, test, Test Team, Australian BioCommons Dev, opscientia, V-pipe, UX study leave, DALiuGE workflows, Team1, UX study, My Fancy Team, Team UX Study11, My team, ux study team, UX study koehorst, Team Koehorst, UX Study (satra), Steve's UX Study Test Team, TestSaandra, KJ-workflow-test, NewTeam, team, UXStudy, A Team, UX study K, UXStudy99, Study team, Another new team, UX study2, Team 20220225, my new team, UX Study AU, Testing_proteomics, A test space (KKH), Pleiade, QSM4SENIOR, IGG-Bioinfo, Defragmentation training school, FWCC-D@HZDR, Submission Tutorial, Testing team, Galaxy Training Network, Exploring SEEK SOP functionality, MyTest, Tsinghua University BCI group, Test Team Number Nine, Eli's test team, EMBL Bioimage analysis service, Hu's Test
Web page: Not specified
Space: General
Public web page: https://galaxy.training
