promoe

Protonize a selection of atoms of protein binding sites.

Project description

Protonize selected atoms with the use of MOE and Pymol.

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

0.1.0 (2019-09-30)

This version

0.1.0

Oct 9, 2019

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Uploaded Oct 9, 2019 Source

Uploaded Oct 9, 2019 Python 2 Python 3

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