A very common operation in cheminformatics is the interconversion of molfiles and SMILES strings. Usually, converting from SMILES gives a molfile in which all atoms have coordinates of (0,0,0). Sometimes you just need more than that. The following Ruby CDK code will accept an arbitrary SMILES string and return a molfile with fully-assigned 2D atom coordinates:
require 'rubygems' require 'rcdk' require 'rcdk/util' include RCDK::Util XY.coordinate_molfile Lang.smiles_to_molfile('c1ccccc1')
Looking at it this way, those four lines of require/include statements seem pretty darn verbose.