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.

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[]
Total size: 1.24 KB
help Creators and Submitter
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Views: 724   Downloads: 33

Created: 22nd Jul 2020 at 11:49

Last used: 19th Jan 2022 at 16:06

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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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