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buildamol
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Issues
A
buildamol\optimizers\base_rotatron.py
61 2 -
A
buildamol\optimizers\distance_rotatron.py
24 2 -
A
buildamol\extensions\bio\glycans\iupac.py
52 2 -
A
buildamol\optimizers\forcefield_rotatron.py
12 2 -
A
buildamol\optimizers\overlap_rotatron.py
18 2 -
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buildamol\__init__.py
 2 -
A
buildamol\extensions\bio\glycans\glycan.py
17 2 1
A
buildamol\core\__init__.py
 2 -
A
buildamol\extensions\molecular_dynamics\atom_typing\atom_typer.py
27 2 -
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buildamol\structural\geometry.py
159 2 -
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buildamol\extensions\bio\proteins\__init__.py
 3 -
A
buildamol\utils\auxiliary.py
56 3 -
A
buildamol\extensions\bio\proteins\peptides.py
22 3 -
A
buildamol\utils\pdb.py
52 3 -
A
buildamol\utils\visual.py
191 3 1
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buildamol\optimizers\utils.py
44 3 -
A
buildamol\structural\groups.py
121 3 1
A
tests\test_convert.py
15 4 2
A
tests\test_charmm.py
2 4 -
A
support\pdbe_compounds\size_filter.py
6 4 -