Class: Bio::PDB

Inherits:
Object
  • Object
show all
Defined in:
lib/chem/db/pdb.rb

Defined Under Namespace

Classes: ChemicalComponent

Instance Method Summary collapse

Instance Method Details

#mols ⇒ Object 



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# File 'lib/chem/db/pdb.rb', line 49

def mols
  mols = {}
  @hash["HETATM"].each do |atom|
    mol = (mols[[atom.resName, atom.chainID]] ||= Chem::PDB::PDBMolecule.new(atom.resName))
    mol.nodes.push(atom)
  end
  mols
end