A high-level representation of the contents of a PDB file Constructor: Structure(|filename|, |model|='0', |alternate_code|='"A"'), where |filename| is the name of the PDB file. Compressed files and URLs are accepted, as for class PDBFile. The two optional arguments specify which data should be read in case of a multiple-model file or in case of a file that contains alternative positions for some atoms. The components of a system can be accessed in several ways ('s' is an instance of this class): - 's.residues' is a list of all PDB residues, in the order in which they occurred in the file. - 's.peptide_chains' is a list of PeptideChain objects, containing all peptide chains in the file in their original order. - 's.nucleotide_chains' is a list of NucleotideChain objects, containing all nucleotide chains in the file in their original order. - 's.molecules' is a list of all PDB residues that are neither amino acid residues nor nucleotide residues, in their original order. - 's.objects' is a list of all high-level objects (peptide chains, nucleotide chains, and molecules) in their original order. An iteration over a Structure instance by a for-loop is equivalent to an iteration over the residue list.
Public Member Functions
Static Public Attributes
|molecule_constructor = Molecule|
|nucleotide_chain_constructor = NucleotideChain|
|peptide_chain_constructor = PeptideChain|
Private Member Functions