Bio.PDB.Structure module¶
The structure class, representing a macromolecular structure.
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class
Bio.PDB.Structure.
Structure
(id)¶ Bases:
Bio.PDB.Entity.Entity
The Structure class contains a collection of Model instances.
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__init__
(self, id)¶ Initialize the class.
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__repr__
(self)¶ Return the structure identifier.
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get_models
(self)¶ Return models.
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get_chains
(self)¶ Return chains from models.
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get_residues
(self)¶ Return residues from chains.
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get_atoms
(self)¶ Return atoms from residue.
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atom_to_internal_coordinates
(self, verbose: bool = False) → None¶ Create/update internal coordinates from Atom X,Y,Z coordinates.
Internal coordinates are bond length, angle and dihedral angles.
- Parameters
bool (verbose) – default False describe runtime problems
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internal_to_atom_coordinates
(self, verbose: bool = False) → None¶ Create/update atom coordinates from internal coordinates.
- Parameters
bool (verbose) – default False describe runtime problems
- Raises
Exception – if any chain does not have .pic attribute
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