https://github.com/astrazeneca/peptide-tools

Programs to calculate phys-chem properties of synthetic peptides and proteins: isoelectric point and extinction coefficients.
https://github.com/astrazeneca/peptide-tools

Last synced: about 1 year ago
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Programs to calculate phys-chem properties of synthetic peptides and proteins: isoelectric point and extinction coefficients.

• Host: GitHub
• URL: https://github.com/astrazeneca/peptide-tools
• Owner: AstraZeneca
• License: mit
• Created: 2021-08-19T07:30:57.000Z (almost 5 years ago)
• Default Branch: refactor/peptools
• Last Pushed: 2025-05-07T14:09:00.000Z (about 1 year ago)
• Last Synced: 2025-05-07T15:25:01.506Z (about 1 year ago)
• Language: Python
• Size: 736 KB
• Stars: 38
• Watchers: 2
• Forks: 7
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • Contributing: CONTRIBUTING.md

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README

          
![Maturity level-0](https://img.shields.io/badge/Maturity%20Level-ML--0-red)

peptide-tools-refactor

OVERVIEW

    Set of programs to calcaulte phys-chem properties of synthetic peptides and proteins: isoelectic point and extinction coefficients.

    In total there are 5 scripts/programs there, each can serve as stand alone:

    1) pIChemiSt  

    program to calcualte isoelectric point of natural and modified peptides. 

    2) smi2scrambledfasta  (depends on 1)

    program to generate the scrambled FASTA sequence from Smiles.

    3) pI_fasta  (depends on 2)

    program to calcualte isoelecric point using FASTA sequence as an input.

    4) extn_coeff_fasta  (depends on 2)

    program to calculate extinction coefficients.

    5) peptide_tools_master  (depends on 1,2,3,4)

    wrapper script for all the programs above. Can run for one compound and for batch submissions.

HOW TO RUN & DEPENDENCIES 

    Check the documentaion for each script. 

PLATFORM

    Tested on linux CentOS