$DY_ROOT/contrib/src/libdu/smiles/_readme

    /**********************************************************************
    * This source code is public domain, and may be freely distributed,   *
    * modified, and used for any purpose.  IT COMES WITH ABSOLUTELY NO    *
    * WARRANTY OF ANY KIND.                                               *
    **********************************************************************/

This directory contains handy utility functions for use with the SMILES
Toolkit.

du_atomicmass.c
   Returns the atomic mass of an atom.

du_chiralify.c
   Return a sequence of strings containing the isomeric SMILES of
   stereoisomers of the given molecule which are due to unspecified
   tetrahedral chirality and unspecified orientation about double bonds.
   Specified chiralities and orientations are not disturbed.

du_eliminate.c
   A function which, given two molecules and a terminal atom in each, will
   generate a new molecule by eliminating the two terminal atoms and
   superimposing the resulting "dangling bonds".

du_mf.c
   A function that generates the molecular formula of a molecule.

du_normalmass.c
   Returns the mass (an integer) of the most common isotope of an atom.

du_part.c
   A function to find disconnected parts of a molecule.

du_smilin.c
   A function that behaves like dt_smilin() but uses null-terminated strings.

du_smilinseq.c
   Takes a SMILES containing disconnected parts (e.g. [Cl-].[Na+]) and
   produces a sequence of molecule objectes, one per disconnected part.

du_symbol.c
   Like dt_symbol(), but converts 1st letter to lowercase if the atom
   is aromatic, and NULL-terminates the string.

------------------------------------------------------------------------------
:du_atomicmass.c:Return the atomic mass of an atom
:du_chiralify.c:Returns sequence of isomeric SMILES due to unspecified tetrahedral chirality/double bond orientation
:du_eliminate.c:Combine ("bond") two molecules into a single one
:du_mf.c:Generate the molecular formula of a molecule
:du_normalmass.c:Return the integer mass of atom's most-common isotope
:du_part.c:Find disconnected parts of a molecule
:du_smilin.c:Like dt_smilin() but uses null-terminated strings
:du_smilinseq.c:Convert dot-disconnect SMILES to sequence of molecules
:du_symbol.c:Like dt_symbol(), but lowercase for aromatic atoms