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forlilab / Meeko

Interfacing RDKit and AutoDock
GNU Lesser General Public License v2.1
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Macrocycle simplify #114

Closed diogomart closed 4 months ago

diogomart commented 5 months ago

Enables us to get rid of bond_order and is_chiral attributes in molsetups.

diogomart commented 5 months ago

oops the first two commits weren't intended, but wanted to add those sooner or later