Protein Ligand Abstraction and Hydrogenization tool. A cheminformatic tool that separate protein and ligand from the PDB file, fix the bond order of the ligand, protonate protein and ligand separately, then write them to separate file.
protein-ligand-docking command-line-tool pdb-file-processing cheminformatics-software protein-preparation ligand-preparation protein-protonation ligand-protonation
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Updated
Jan 18, 2025 - Python