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Protonize a selection of atoms of protein binding sites.

Project description

promoe

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Protonize selected atoms with the use of MOE and Pymol.

Overview

overview of promoe

Features

  • 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

History

0.1.0 (2019-09-30)

  • First release on PyPI.

Project details


Release history Release notifications

This version

0.1.0

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