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forlilab / Meeko

Interfacing RDKit and AutoDock
GNU Lesser General Public License v2.1
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Export flexible residues from PDBQTMol #15

Closed althea-hansel closed 2 years ago

althea-hansel commented 2 years ago

from_pdbqt_mol in rdkit_mol_create now includes flexible residues. This means that mk_copy_coords also includes flexible residues.