forlilab / Meeko

Interfacing RDKit and AutoDock
GNU Lesser General Public License v2.1
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enumerate rotamers of tertiary amides with different substituents #52

Open diogomart opened 1 year ago

diogomart commented 1 year ago

Making these amides rotatable is generating too much garbage (i.e. non-planar amides) due to lack of torsion potentials.