Workflow Type: Common Workflow Language
Open
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.
Click and drag the diagram to pan, double click or use the controls to zoom.
Inputs
ID | Name | Description | Type |
---|---|---|---|
workdir_array | n/a | n/a |
|
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 |
|
Version History
Version 1 (earliest) Created 22nd Jul 2020 at 11:49 by Andrea Giachetti
Added/updated 1 files
Open
master
9fa4f7f
Creators and Submitter
Creators
Not specifiedSubmitter
License
Activity
Views: 2623 Downloads: 932
Created: 22nd Jul 2020 at 11:49
Tags
This item has not yet been tagged.
Attributions
None