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forlilab / Meeko

Interfacing RDKit and AutoDock
GNU Lesser General Public License v2.1
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Break long SMILES REMARKS to fit under 255 characters #31

Closed diogomart closed 1 year ago

diogomart commented 1 year ago

To comply with AutoDock PDBQT parsers.

diogomart commented 1 year ago

No longer needed as AD-GPU now supports long lines: https://github.com/ccsb-scripps/AutoDock-GPU/pull/210