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API Modules

  • IO
    • common
    • constants
    • enums
    • parser
    • Tools
      • FASTA Tools
      • Inference Tools
      • RDKit Tools
    • Transforms
      • Atom Array Transforms
      • Category Transforms
    • Utilities
      • Assembly Utilities
      • Bond Utilities
      • CCD Utilities
      • Chain Utilities
      • I/O Utilities
      • Non-RCSB Utilities
      • Selection Utilities
      • Sequence Utilities
      • Testing Utilities
      • Visualization Utilities
  • ML
    • Common Utilities
    • Enums
    • Encoding Definitions
    • Samplers
    • Datasets
    • Dataset Parsers
    • Preprocessing
    • Preprocessing Utilities
    • Pipelines
    • Transforms
    • Diffusion Transforms
    • DNA Transforms
    • ESM Transforms
    • Feature Aggregation Transforms
    • MSA Transforms
    • Utilities
  • API
  • IO
  • Transforms

Transforms#

  • Atom Array Transforms
    • add_atomic_number_annotation()
    • add_chain_iid_annotation()
    • add_chain_type_annotation()
    • add_charge_from_ccd_codes()
    • add_hydrogen_atom_positions()
    • add_id_and_entity_annotations()
    • add_iid_annotations_to_assemblies()
    • add_molecule_id_annotation()
    • add_molecule_iid_annotation()
    • add_pn_unit_id_annotation()
    • add_pn_unit_iid_annotation()
    • add_polymer_annotation()
    • annotate_entities()
    • ensure_atom_array_stack()
    • is_any_coord_nan()
    • keep_last_residue()
    • maybe_fix_non_polymer_at_symmetry_center()
    • mse_to_met()
    • remove_ccd_components()
    • remove_hydrogens()
    • remove_nan_coords()
    • remove_waters()
    • replace_negative_res_ids_with_auth_seq_id()
    • resolve_arginine_naming_ambiguity()
    • subset_atom_array()
    • update_nonpoly_seq_ids()
  • Category Transforms
    • category_to_df()
    • category_to_dict()
    • extract_crystallization_details()
    • get_ligand_of_interest_info()
    • get_metadata_from_category()
    • initialize_chain_info_from_category()
    • load_monomer_sequence_information_from_category()

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