OpenFF Fragmenter
0.1.1
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OpenFF Fragmenter
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Index
B
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F
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H
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K
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M
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P
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R
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S
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T
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W
B
bond_indices (openff.fragmenter.fragment.Fragment attribute)
F
find_rotatable_bonds() (openff.fragmenter.fragment.Fragmenter class method)
fragment() (openff.fragmenter.fragment.Fragmenter method)
fragment_molecules (openff.fragmenter.fragment.FragmentationResult property)
fragments (openff.fragmenter.fragment.FragmentationResult attribute)
fragments_by_bond (openff.fragmenter.fragment.FragmentationResult property)
functional_groups (openff.fragmenter.fragment.Fragmenter attribute)
H
heuristic (openff.fragmenter.fragment.WBOFragmenter attribute)
K
keep_non_rotor_ring_substituents (openff.fragmenter.fragment.WBOFragmenter attribute)
M
max_conformers (openff.fragmenter.fragment.WBOOptions attribute)
method (openff.fragmenter.fragment.WBOOptions attribute)
molecule (openff.fragmenter.fragment.Fragment property)
P
parent_molecule (openff.fragmenter.fragment.FragmentationResult property)
parent_smiles (openff.fragmenter.fragment.FragmentationResult attribute)
provenance (openff.fragmenter.fragment.FragmentationResult attribute)
R
rms_threshold (openff.fragmenter.fragment.WBOOptions attribute)
S
scheme (openff.fragmenter.fragment.PfizerFragmenter attribute)
(openff.fragmenter.fragment.WBOFragmenter attribute)
smiles (openff.fragmenter.fragment.Fragment attribute)
T
threshold (openff.fragmenter.fragment.WBOFragmenter attribute)
W
wbo_options (openff.fragmenter.fragment.WBOFragmenter attribute)
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v: 0.1.1
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