NoahHenrikKleinschmidt/buildamol

main

buildamol

Grade	Name	Complexity	Churn	Issues
A	buildamol\graphs\residue_graph.py	89	1	2
A	support\paper_data\vs_stk\example_macrocycle\using_buildamol.py		1	-
A	buildamol\utils\sdmol.py	5	1	-
A	buildamol\utils\xyz.py	4	1	-
A	buildamol\optimizers\circulatron.py	5	1	-
A	docs\_static\css\styles.css		1	-
A	buildamol\utils\defaults.py	2	1	-
A	buildamol\utils\ic.py	19	1	-
A	buildamol\extensions\docking\dockstring.py	20	1	-
A	docs\examples\chimera_movie.py		1	2
A	buildamol\extensions\docking\easydock.py	24	1	1
A	buildamol\extensions\bio\lipids\__init__.py		1	-
A	buildamol\resources\charmm.py	99	1	-
A	buildamol\utils\cif.py	16	1	-
A	support\paper_data\vs_stk\example_metalcomplex\octahedral_delta\using_buildamol.py		1	-
A	support\paper_data\vs_stk\example_macrocycle\using_stk.py		1	-
A	docs\requirements.txt		1	-
A	buildamol\utils\constants.py		1	-
A	buildamol\structural\reactivity.py	50	1	4
A	buildamol\structural\smiles.py	12	1	-