Topic: "pyopenms"
ajmaurais/pymsConvert
Convert between common MS data formats.
Language: Python - Size: 13.7 KB - Last synced at: about 2 years ago - Pushed at: over 4 years ago - Stars: 2 - Forks: 0
ElshaymaaAhmed/Fragment-spectrum-generation
Generating theoretical fragment spectra is central to many identification tasks in computational mass spectrometry. TheoreticalSpectrumGenerator can be configured to generate tandem MS spectra from a given peptide charge combination. There are various parameters which influence the generated ions e.g. simulating different fragmentation techniques.
Language: Jupyter Notebook - Size: 7.35 MB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0
ElshaymaaAhmed/Find-Peptides-with-the-same-Mass
Find how many peptides that have the same mass
Language: Jupyter Notebook - Size: 7.35 MB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0
ElshaymaaAhmed/Peptides-and-Proteins-Jupyter
The AASequence class handles amino acid sequences in OpenMS. A string of amino acid residues can be turned into a instance of AASequence to provide some commonly used operations like chemical formula, weight, and isotope distribution calculations.
Language: Jupyter Notebook - Size: 18.6 KB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0
ajmaurais/scanSelect
Select specified scans and precursors from a mzML file
Language: Python - Size: 20.5 KB - Last synced at: about 2 years ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 0