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Does basic calculations on polypeptides/proteins/enzymes, like the isoelectric point, the molar mass, the mean residue molar mass and the nitrogen content.

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AlexanderSouthan/pyProtein

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License: MIT build workflow codecov

pyProtein

pyProtein does basic calculations on polypeptides/ proteins/enzymes, e.g. the isoelectric point similar to e.g. the "ExPASy Compute pI/Mw tool". Methods are contained in class protein. Is intended to be included into scripts for automated calculations.

Currently only calculations for compounds with amino acid residues (proteins/ enzymes/polypeptides) are supported:

  • Input as amino acid abundance or amino acid sequence.
  • Currently contains pKa tables from three sources for IEP and charge calculation.
  • Calculates charge states of proteins depending on pH values.

For imformation on how to use it:

  • See docstrings.
  • Or look at how the tests are done in the tests folder.

Requirements

Requirements are listed in the requirements.txt file.

Installation

pyProtein is part of PyPI, so install with:

pip install pyProtein

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Does basic calculations on polypeptides/proteins/enzymes, like the isoelectric point, the molar mass, the mean residue molar mass and the nitrogen content.

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