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buildamol
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A
buildamol\utils\cif.py
16 1 -
A
tests\__init__.py
 1 -
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support\paper_data\vs_stk\example_metalcomplex\octahedral_lambda\using_buildamol.py
 1 -
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docs\requirements.txt
 1 -
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buildamol\extensions\bio\proteins\secondary_structure.py
4 1 -
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buildamol\extensions\molecular_dynamics\psf.py
25 1 -
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buildamol\structural\neighbors.py
117 2 2
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buildamol\extensions\molecular_factories\__init__.py
 2 -
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buildamol\utils\__init__.py
 2 -
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buildamol\extensions\polymers\polycarbons.py
25 2 -
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buildamol\utils\xml.py
68 2 -
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buildamol\graphs\__init__.py
 2 -
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buildamol\optimizers\base_rotatron.py
61 2 -
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buildamol\optimizers\__init__.py
 2 -
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buildamol\optimizers\algorithms.py
87 2 3
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buildamol\core\Linkage.py
149 2 1
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buildamol\extensions\bio\glycans\glycan.py
17 2 1
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buildamol\extensions\complexes\rotaxane_builder.py
31 2 -
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buildamol\optimizers\distance_rotatron.py
24 2 -
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buildamol\extensions\bio\glycans\iupac.py
52 2 -