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
