Method: Chem::Atom#to_mdl

Defined in:
lib/chem/db/mdl.rb

#to_mdl(mapping = 0) ⇒ Object 



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# File 'lib/chem/db/mdl.rb', line 33

def to_mdl mapping = 0
  MDLAtomLineFormat % [x, y, z, element, 0, 0, 0, 0, 0, 0, 0, 0, 0, mapping, 0, 0]
end