NMR pipe
Version 1

Workflow Type: Common Workflow Language
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
  • Directory[]

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
  • File[]

Version History

Version 1 (earliest) Created 22nd Jul 2020 at 11:49 by Andrea Giachetti

Added/updated 1 files


Open master 9fa4f7f
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Views: 2550   Downloads: 911

Created: 22nd Jul 2020 at 11:49

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