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Protonize a selection of atoms of protein binding sites.

Project description

promoe Documentation Status Updates

Protonize selected atoms with the use of MOE and Pymol.


overview of promoe


  • Protonize the binding site of a pdb id automatically

  • Remove water atoms that are unable to interact with the ligand after protonization

  • Extract charges for residues

  • Extract all ligand IDs

  • Extract all alternative locations


0.1.0 (2019-09-30)

  • First release on PyPI.

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