group_decomposition
stable
Contents:
Installation
Tips
Fragmentation Usage
Creating Molecule Objects
File Parsing Tools
Molecule Manipulation and Information Tools
Querying Functional Groups
API
group_decomposition
Index
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Index
A
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C
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D
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G
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I
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L
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M
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O
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Q
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S
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T
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X
A
all_data_from_cml() (in module group_decomposition.utils)
C
count_fgs() (in module group_decomposition.fg_query)
count_groups_in_set() (in module group_decomposition.fragfunctions)
count_uniques() (in module group_decomposition.fragfunctions)
D
data_from_cml() (in module group_decomposition.utils)
G
generate_molecule_fragments() (in module group_decomposition.fragfunctions)
get_canonical_molecule() (in module group_decomposition.utils)
get_cml_atom_types() (in module group_decomposition.utils)
get_molecules_atomicnum() (in module group_decomposition.utils)
get_molecules_atomsinrings() (in module group_decomposition.utils)
group_decomposition.fg_query
module
group_decomposition.fragfunctions
module
group_decomposition.utils
module
I
identify_connected_fragments() (in module group_decomposition.fragfunctions)
L
link_molecules() (in module group_decomposition.utils)
list_to_str() (in module group_decomposition.utils)
M
merge_uniques() (in module group_decomposition.fragfunctions)
module
group_decomposition.fg_query
group_decomposition.fragfunctions
group_decomposition.utils
mol_from_cml() (in module group_decomposition.utils)
mol_from_molfile() (in module group_decomposition.utils)
mol_with_atom_index() (in module group_decomposition.utils)
O
output_ifc_dict() (in module group_decomposition.fragfunctions)
output_ifc_gjf() (in module group_decomposition.fragfunctions)
Q
query_pattern() (in module group_decomposition.fg_query)
S
smiles_from_cml() (in module group_decomposition.utils)
T
trim_placeholders() (in module group_decomposition.utils)
X
xyz_from_cml() (in module group_decomposition.utils)
xyz_list_to_str() (in module group_decomposition.utils)