mmtbx.chemical_components package
mmtbx.chemical_components.cif_parser module
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class mmtbx.chemical_components.cif_parser.empty
Bases: object
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mmtbx.chemical_components.cif_parser.get_func(cif_key, sk)
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mmtbx.chemical_components.cif_parser.get_typed_field(cif_key, sk, field, func=None)
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mmtbx.chemical_components.cif_parser.run(filename)
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mmtbx.chemical_components.cif_parser.run2(filename)
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mmtbx.chemical_components.cif_parser.smart_split_cif_line(line)
Module contents
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mmtbx.chemical_components.find_data_dir()
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mmtbx.chemical_components.generate_chemical_components_codes(sort_reverse_by_smiles=False, only_non_polymer=False)
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mmtbx.chemical_components.get_alternative_name(code, name)
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mmtbx.chemical_components.get_as_atom_group(code)
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mmtbx.chemical_components.get_as_hierarchy(code)
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mmtbx.chemical_components.get_atom_names(code, alternate=False, heavy_atom_only=False)
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mmtbx.chemical_components.get_atom_type_symbol(code)
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mmtbx.chemical_components.get_bond_pairs(code, alternate=False, heavy_atom_only=False, use_tuple=False)
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mmtbx.chemical_components.get_cif_dictionary(code, filename=None, old_reader=False)
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mmtbx.chemical_components.get_cif_filename(code)
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mmtbx.chemical_components.get_field_simple(code, loop, field)
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mmtbx.chemical_components.get_group(code, split_rna_dna=False, split_l_d=False, verbose=False)
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mmtbx.chemical_components.get_hydrogen_names(code, wrap=False, alternate=False)
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mmtbx.chemical_components.get_name(code)
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mmtbx.chemical_components.get_restraints_group(code, split_rna_dna=True, split_l_d=True)
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mmtbx.chemical_components.get_smiles(code)
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mmtbx.chemical_components.get_type(code)
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mmtbx.chemical_components.is_chemical_components_file(filename)
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mmtbx.chemical_components.is_code(code)
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mmtbx.chemical_components.is_residue_specified(code, alternate=False)