Workflow Type: Common Workflow Language
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Work-in-progress
CWL workflow for NMR spectra Peak Picking The workflow takes as input a series of 2D 1H 15N HSQC NMR spectra and uses nmrpipe tools to convert the spectra in nmrpipe format and performs an automatic peak picking. This test uses a protein MDM2 with different ligands and peptide and generates a peak list with 1H and 15N chemical shift values for each spectrum. The difference among these peak lists can be used to characterize the ligand binding site on the protein.
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Inputs
ID | Name | Description | Type |
---|---|---|---|
workdir_array | n/a | n/a |
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Steps
ID | Name | Description |
---|---|---|
brucker_to_script | n/a | n/a |
script_to_fid | n/a | n/a |
fid_to_pipe | n/a | n/a |
pipe_to_pick | n/a | n/a |
Outputs
ID | Name | Description | Type |
---|---|---|---|
final_result | n/a | n/a |
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Version History
Version 1 (earliest) Created 22nd Jul 2020 at 11:49 by Andrea Giachetti
Added/updated 1 files
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Created: 22nd Jul 2020 at 11:49
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