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pKa predictions for 3D structures

Installers

  • osx-64 v3.1.0
  • linux-64 v3.1.0

conda install

To install this package run one of the following:
conda install insilichem::propka

Description

PROPKA predicts the pKa values of ionizable groups in proteins (version 3.0) and protein-ligand complexes (version 3.1) based on the 3D structure.


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