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support\paper_data\vs_stk\example_macrocycle\using_stk.py
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buildamol\optimizers\constraint_rotatron.py
13 1 -
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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_metalcomplex\octahedral_delta\using_stk.py
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support\paper_data\vs_stk\example_metalcomplex\octahedral_lambda\using_buildamol.py
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buildamol\extensions\docking\__init__.py
4 1 -
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support\paper_data\vs_stk\example_metalcomplex\octahedral_lambda\using_stk.py
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support\paper_data\vs_stk\example_polymer\using_stk.py
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support\paper_data\vs_stk\example_rotaxane\using_buildamol.py
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buildamol\extensions\docking\dockstring.py
20 1 -
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buildamol\optimizers\translatron.py
18 1 -
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support\paper_data\vs_stk\example_rotaxane\using_stk.py
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support\tools\add_example_gallery.py
6 1 -
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buildamol\extensions\docking\easydock.py
24 1 1
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buildamol\resources\__init__.py
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tests\__init__.py
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buildamol\resources\charmm.py
99 1 -
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buildamol\extensions\bio\lipids\__init__.py
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buildamol\extensions\molecular_dynamics\__init__.py
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buildamol\resources\defaults.py
7 1 -