LICENSE.md
README.md
setup.py
buildamol/__init__.py
buildamol/base_classes.py
buildamol.egg-info/PKG-INFO
buildamol.egg-info/SOURCES.txt
buildamol.egg-info/dependency_links.txt
buildamol.egg-info/requires.txt
buildamol.egg-info/top_level.txt
buildamol/core/Linkage.py
buildamol/core/Molecule.py
buildamol/core/__init__.py
buildamol/core/entity.py
buildamol/extensions/__init__.py
buildamol/extensions/bio/__init__.py
buildamol/extensions/bio/glycans/__init__.py
buildamol/extensions/bio/glycans/glycan.py
buildamol/extensions/bio/glycans/iupac.py
buildamol/extensions/bio/lipids/__init__.py
buildamol/extensions/bio/lipids/simple_lipids.py
buildamol/extensions/bio/proteins/__init__.py
buildamol/extensions/bio/proteins/peptides.py
buildamol/extensions/complexes/__init__.py
buildamol/extensions/complexes/metal_complexer.py
buildamol/extensions/complexes/rotaxane_builder.py
buildamol/extensions/molecular_dynamics/__init__.py
buildamol/extensions/molecular_dynamics/psf.py
buildamol/extensions/molecular_dynamics/atom_typing/__init__.py
buildamol/extensions/molecular_dynamics/atom_typing/atom_typer.py
buildamol/extensions/molecular_dynamics/atom_typing/charmm_typer.py
buildamol/extensions/polymers/__init__.py
buildamol/extensions/polymers/nanotubes.py
buildamol/extensions/polymers/polycarbons.py
buildamol/graphs/__init__.py
buildamol/graphs/atom_graph.py
buildamol/graphs/base_graph.py
buildamol/graphs/residue_graph.py
buildamol/optimizers/__init__.py
buildamol/optimizers/algorithms.py
buildamol/optimizers/base_rotatron.py
buildamol/optimizers/circulatron.py
buildamol/optimizers/constraint_rotatron.py
buildamol/optimizers/distance_rotatron.py
buildamol/optimizers/forcefield_rotatron.py
buildamol/optimizers/overlap_rotatron.py
buildamol/optimizers/translatron.py
buildamol/optimizers/utils.py
buildamol/resources/__init__.py
buildamol/resources/charmm.py
buildamol/resources/components_amino_acids.json
buildamol/resources/components_amino_acids.pkl
buildamol/resources/components_amino_acids.xml
buildamol/resources/components_base.json
buildamol/resources/components_base.pkl
buildamol/resources/components_base.xml
buildamol/resources/components_lipids.json
buildamol/resources/components_lipids.pkl
buildamol/resources/components_lipids.xml
buildamol/resources/components_nucleotides.json
buildamol/resources/components_nucleotides.pkl
buildamol/resources/components_nucleotides.xml
buildamol/resources/components_small.json
buildamol/resources/components_small.pkl
buildamol/resources/components_small.xml
buildamol/resources/components_sugars.json
buildamol/resources/components_sugars.pkl
buildamol/resources/components_sugars.xml
buildamol/resources/defaults.py
buildamol/resources/pdbe_compounds.py
buildamol/resources/pdbe_template.cif
buildamol/resources/pubchem.py
buildamol/resources/topology.json
buildamol/resources/topology.pkl
buildamol/resources/topology.xml
buildamol/structural/__init__.py
buildamol/structural/base.py
buildamol/structural/connector.py
buildamol/structural/geometry.py
buildamol/structural/groups.py
buildamol/structural/infer.py
buildamol/structural/neighbors.py
buildamol/structural/patch.py
buildamol/structural/smiles.py
buildamol/structural/stitch.py
buildamol/utils/__init__.py
buildamol/utils/abstract.py
buildamol/utils/auxiliary.py
buildamol/utils/cif.py
buildamol/utils/constants.py
buildamol/utils/convert.py
buildamol/utils/defaults.py
buildamol/utils/ic.py
buildamol/utils/info.py
buildamol/utils/json.py
buildamol/utils/pdb.py
buildamol/utils/sdmol.py
buildamol/utils/visual.py
buildamol/utils/xml.py
tests/test_charmm.py
tests/test_convert.py
tests/test_graphs.py
tests/test_molecule.py
tests/test_optimizers.py
tests/test_pdbe_compounds.py
tests/test_structural.py
tests/test_toplevel.py