columnarStructure.py
Provides efficient access to structure information in the form of atom-based arrays. Data are lazily initialized as needs.
ColumnarStructure(structure, firstModelOnly=True)[source]¶Bases: object
Column based data structure to efficiently access structure information
Attributes
| structure | (mmtfStructure) mmtf structure |
| firstModelOnly | (bool) use only the first model in a structure if True |
Methods
get_alt_loc_list() |
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get_atom_names() |
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get_atom_to_chain_indices() |
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get_atom_to_group_indices() |
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get_b_factors() |
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get_chain_ids() |
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get_chain_names() |
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get_chain_to_atom_indices() |
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get_chain_to_entity_index() |
Returns an array that maps a chain index to an entity index |
get_chain_to_group_indices() |
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get_chem_comp_types() |
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get_elements() |
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get_entity_indices() |
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get_entity_types() |
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get_group_names() |
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get_group_numbers() |
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get_group_to_atom_indices() |
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get_group_types() |
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get_indices() |
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get_num_atoms() |
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get_num_chains() |
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get_num_groups() |
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get_num_models() |
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get_occupancies() |
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get_sequence_positions() |
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get_x_coords() |
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get_y_coords() |
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get_z_coords() |
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is_polymer() |