Protonize a selection of atoms of protein binding sites.
Project description
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
History
0.1.0 (2019-09-30)
First release on PyPI.
Release history Release notifications | RSS feed
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