NoahHenrikKleinschmidt/buildamol

main

buildamol

Grade	Name	Complexity	Churn	Issues
A	buildamol\structural\patch.py	57	1	-
A	support\paper_data\vs_stk\example_macrocycle\using_stk.py		1	-
A	buildamol\utils\pdbqt.py	6	1	-
A	buildamol\utils\sdmol.py	5	1	-
A	buildamol\optimizers\constraint_rotatron.py	13	1	-
A	buildamol\utils\xyz.py	4	1	-
A	buildamol\resources\pubchem.py	67	1	-
A	buildamol\utils\defaults.py	2	1	-
A	buildamol\optimizers\translatron.py	18	1	-
A	docs\examples\chimera_movie.py		1	2
A	buildamol\resources\__init__.py		1	-
A	buildamol\extensions\molecular_dynamics\__init__.py		1	-
A	buildamol\resources\defaults.py	7	1	-
A	buildamol\utils\constants.py		1	-
A	support\paper_data\vs_stk\example_metalcomplex\octahedral_delta\using_stk.py		1	-
A	support\paper_data\vs_stk\example_metalcomplex\octahedral_delta\using_buildamol.py		1	-
A	docs\requirements.txt		1	-
A	buildamol\utils\convert.py	64	1	1
A	buildamol\utils\cif.py	16	1	-
A	buildamol\structural\smiles.py	12	1	-