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Meeko
Interfacing RDKit and AutoDock
GNU Lesser General Public License v2.1
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Refactored receptor class (chorizo) to generalize beyond proteins
#133
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diogomart
opened
3 weeks ago
diogomart
commented
3 weeks ago
The changes are extensive, and include:
every chorizo residue has its own MoleculeSetup instance, whether flexible (sidechain) or not
refactored flexibility.py
The changes are extensive, and include: