promoe

Protonize selected atoms with the use of MOE and Pymol.

• Free software: GNU General Public License v3
• Documentation: https://promoe.readthedocs.io.

Overview

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