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buildamol
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Complexity
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Issues
A
tests\test_charmm.py
2 4 -
A
support\pdbe_compounds\size_filter.py
6 4 -
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tests\test_convert.py
15 4 2
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buildamol\utils\auxiliary.py
56 3 -
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buildamol\utils\pdb.py
52 3 -
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buildamol\utils\visual.py
191 3 1
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buildamol\utils\__init__.py
 3 -
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buildamol\structural\groups.py
121 3 1
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buildamol\core\Linkage.py
105 3 2
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buildamol\optimizers\utils.py
44 3 -
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buildamol\extensions\molecular_dynamics\solvate\__init__.py
1 2 -
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buildamol\utils\abstract.py
32 2 -
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buildamol\extensions\molecular_factories\__init__.py
 2 -
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buildamol\utils\xml.py
68 2 -
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buildamol\structural\neighbors.py
117 2 2
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buildamol\structural\geometry.py
159 2 -
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buildamol\extensions\bio\glycans\glycan.py
17 2 1
A
buildamol\extensions\complexes\rotaxane_builder.py
31 2 -
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buildamol\optimizers\forcefield_rotatron.py
12 2 -
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buildamol\extensions\bio\glycans\iupac.py
52 2 -