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I'm docking the native ligand to the structure with the pdb id 4v64. Regardless of sampling or --local_only options, the connectivity of the ligand changes after docking. One of the rings is breaking. I am able to fix the preparing ligand manually but need to use meeko to make hydrated docking. I'm sharing the prepared ligand and docked ligand with meeko and without meeko. ligand_problem.tar.gz
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The text was updated successfully, but these errors were encountered:
I'm docking the native ligand to the structure with the pdb id 4v64. Regardless of sampling or --local_only options, the connectivity of the ligand changes after docking. One of the rings is breaking. I am able to fix the preparing ligand manually but need to use meeko to make hydrated docking. I'm sharing the prepared ligand and docked ligand with meeko and without meeko.
ligand_problem.tar.gz
.
The text was updated successfully, but these errors were encountered: