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support\paper_data\vs_stk\example_cyclohept_amine_NCore\using_stk.py
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buildamol\structural\patch.py
57 1 -
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buildamol\extensions\molecular_dynamics\solvate\backend_biobb.py
13 1 -
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buildamol\extensions\bio\proteins\__init__.py
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support\paper_data\vs_stk\example_cylcohept_NCore\using_buildamol.py
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buildamol\utils\abstract.py
32 2 -
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buildamol\extensions\molecular_factories\__init__.py
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buildamol\utils\cif.py
16 1 -
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buildamol\extensions\bio\proteins\database_integrations.py
3 1 -
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buildamol\extensions\bio\proteins\peptides.py
27 4 -
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buildamol\extensions\bio\__init__.py
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buildamol\utils\ic.py
19 1 -
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support\paper_data\vs_stk\example_cylcohept_NCore\using_stk.py
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support\paper_data\vs_stk\example_metalcomplex\octahedral_delta\using_buildamol.py
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support\paper_data\vs_stk\example_macrocycle\using_stk.py
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docs\requirements.txt
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buildamol\utils\pdbqt.py
6 1 -
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.github\workflows\pypi-publish.yml
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buildamol\extensions\bio\nucleic_acids\__init__.py
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buildamol\extensions\molecular_dynamics\atom_typing\charmm_typer.py
10 1 -