promoe¶

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Documentation Status

Updates

Protonize selected atoms with the use of MOE and Pymol.

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

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