Cheminformatics - Enumerate ligands for docking Version 1
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Run on GalaxyThis workflow is used form the preparation of protein and ligands for docking. More info can be found at https://covid19.galaxyproject.org/cheminformatics/
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Inputs
| ID | Name | Description | Type |
|---|---|---|---|
| 0_Input Dataset | n/a | n/a |
|
Steps
| ID | Name | Description |
|---|---|---|
| 1_Enumerate changes | n/a | n/a |
| 2_Split file | n/a | n/a |
| 3_Compound conversion | n/a | n/a |
| 4_Concatenate datasets | n/a | n/a |
Version History
Version 1 (earliest) Created 10th Apr 2020 at 15:17 by Bert Droesbeke
Added/updated 3 files
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Creators and SubmitterCreators
Not specifiedAdditional credit
Tim Dudgeon, Simon Bray, Gianmauro Cuccuru, Björn Grüning, Rachael Skyner, Jack Scantlebury, Susan Leung, Frank von Delft
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Views: 4720 Downloads: 829 Runs: 0
Created: 10th Apr 2020 at 15:17
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https://orcid.org/0000-0003-0522-5674
The goal of COVID-19-Biohackathon 2020 (COVID-19-BH20) is to develop and gather computational tools that can be useful for studying the biology of the virus and the disease.
The COVID-19 Programme in Workflow Hub aims to gather workflows for the analysis of COVID-19 molecular biology data and their metadata. In this programme, all workflows and their metadata will be curated and made interoperable, reusable and reproducible. All workflows and their metadata will be easily accessible to everyone ...
Teams: Connor Lab, GalaxyProject SARS-CoV-2, InSaFLU, nf-core viralrecon, CWL workflow SARS-CoV-2, V-Pipe, Test team
Web page: https://github.com/virtual-biohackathons/covid-19-bh20
Ongoing analysis of COVID-19 using Galaxy, BioConda and public research infrastructures https://covid19.galaxyproject.org
Space: COVID-19 Biohackathon
Public web page: https://github.com/galaxyproject/SARS-CoV-2
