pyrosetta_help package
Subpackages
- pyrosetta_help.alphafold package
- Submodules
- pyrosetta_help.alphafold.constraints module
- pyrosetta_help.alphafold.multimodel module
AF2NotebookAnalyser
AF2NotebookAnalyser.__init__()
AF2NotebookAnalyser.calculate_interface()
AF2NotebookAnalyser.constrain()
AF2NotebookAnalyser.constrain_and_relax()
AF2NotebookAnalyser.dump()
AF2NotebookAnalyser.dump_pdbs()
AF2NotebookAnalyser.find_interface_residues()
AF2NotebookAnalyser.get_errors()
AF2NotebookAnalyser.get_interactions()
AF2NotebookAnalyser.get_median_interface_bfactors()
AF2NotebookAnalyser.get_poses()
AF2NotebookAnalyser.load()
AF2NotebookAnalyser.make_AF2_dataframe()
AF2NotebookAnalyser.make_phosphorylated()
AF2NotebookAnalyser.parse_phosphosite()
AF2NotebookAnalyser.poses
AF2NotebookAnalyser.relax()
AF2NotebookAnalyser.sidechain_relax()
- pyrosetta_help.alphafold.plot module
- pyrosetta_help.alphafold.retrieval module
- pyrosetta_help.alphafold.superimpose module
- Module contents
- pyrosetta_help.blueprint_maker package
- pyrosetta_help.chain_ops package
- pyrosetta_help.common_ops package
- Submodules
- pyrosetta_help.common_ops.constraints module
- pyrosetta_help.common_ops.distances module
- pyrosetta_help.common_ops.downloads module
- pyrosetta_help.common_ops.faux_selectors module
- pyrosetta_help.common_ops.minimize module
- pyrosetta_help.common_ops.nglview module
- pyrosetta_help.common_ops.ss_changes module
- pyrosetta_help.common_ops.utils module
- Module contents
- pyrosetta_help.init_ops package
- pyrosetta_help.installer package
- pyrosetta_help.ligands package
- Submodules
- pyrosetta_help.ligands.hunter module
- pyrosetta_help.ligands.load module
- pyrosetta_help.ligands.nick module
LigandNicker
LigandNicker.__init__()
LigandNicker.constrain_migrated()
LigandNicker.from_pdbcode()
LigandNicker.get_mapping_between_poses()
LigandNicker.get_surrounding_residue()
LigandNicker.get_wanted_selector()
LigandNicker.make_atomID_map()
LigandNicker.make_constraint_foreign_hbond()
LigandNicker.migrate()
LigandNicker.relax_migrated()
chain_letter_to_number()
- Module contents
- pyrosetta_help.per_atom package
- Module contents
AtomicInteractions
AtomicInteractions.__init__()
AtomicInteractions.best_interactions
AtomicInteractions.describe_atom()
AtomicInteractions.describe_best()
AtomicInteractions.describe_interaction()
AtomicInteractions.expected_total
AtomicInteractions.get_cc_selector()
AtomicInteractions.get_target_selector()
AtomicInteractions.score_types
AtomicInteractions.term_relevance_cutoff
AtomicInteractions.total
NeighbourInteractions
- Module contents
- pyrosetta_help.residue_decription package
- pyrosetta_help.score_mutants package
- Submodules
- pyrosetta_help.score_mutants.mutation module
- pyrosetta_help.score_mutants.scores module
- pyrosetta_help.score_mutants.variant module
MutantScorer
MutantScorer.CA_RMSD()
MutantScorer.FA_RMSD()
MutantScorer.__init__()
MutantScorer.convert_name3_to_name1_mutation()
MutantScorer.delta_scoredict()
MutantScorer.does_contain()
MutantScorer.from_file()
MutantScorer.get_neighbor_vector()
MutantScorer.get_present_chains()
MutantScorer.get_scoredict()
MutantScorer.get_unweighted_scorefxn()
MutantScorer.get_wscoredict()
MutantScorer.has_interface()
MutantScorer.has_residue()
MutantScorer.make_mutant()
MutantScorer.make_output_folder()
MutantScorer.movement()
MutantScorer.parse_mutation()
MutantScorer.prefix_dict()
MutantScorer.relax_around_mover()
MutantScorer.score_interface()
MutantScorer.score_mutation()
MutantScorer.score_mutations()
MutantScorer.score_only()
MutantScorer.vector2list()
- Module contents
- pyrosetta_help.threading package
- pyrosetta_help.weights package
- Submodules
- pyrosetta_help.weights.terms module
- Module contents
WeightWatcher
WeightWatcher.compare()
WeightWatcher.find_metion()
WeightWatcher.folder
WeightWatcher.get_ref_values_badly()
WeightWatcher.get_scorefxn()
WeightWatcher.get_scorefxn_block()
WeightWatcher.get_scorefxn_comments()
WeightWatcher.get_weight()
WeightWatcher.get_weights()
WeightWatcher.possible_scorefxn_names
WeightWatcher.pyrosetta_folder
WeightWatcher.term_meanings
Submodules
pyrosetta_help.colab_ops module
- pyrosetta_help.colab_ops.assert_notebook()[source]
Raises an error if the current environment is not a notebook.
- pyrosetta_help.colab_ops.get_shell_mode() str [source]
The
get_ipython().__class__.__name__
is a very nasty name, this replaces it with a nicer name for humans:Shell
: ‘colab’ZMQInteractiveShell
: ‘jupyter’TerminalInteractiveShell: ‘terminal’
None: ‘impossible’
- pyrosetta_help.colab_ops.install_and_import(package_name: str, pypi_name: None | str = None, alias_name: None | str = None)[source]
This is an import / installer in case the !pip commands do not work. Which they do unless there are issues with the kernel.
If the module has a different name in pypi (pypi_name) than its import name (package_name), specify it.
pip install pypi_name import package_name as alias_name