---

Tautomer enumeration:

Program to generate/enumerate tautomers of a given input structure. See Previous presentation for more details.

+-----------------------------------------------------------+
| tautomer -- Add tautomer results from/to .TDT files       |
+-----------------------------------------------------------+
| Copyright 2004 (c) Daylight CIS, Inc.                     |
+-----------------------------------------------------------+
| $ tautomer [options] [infile.tdt [outfile.tdt]]           |
|                                                           |
| $ tautomer -h                                             |
| $ tautomer -HELP [TRUE|FALSE]                             |
|      Write this help message to standard output and exit. |
|                                                           |
| $ tautomer -version                                       |
| $ tautomer -VERSION [TRUE|FALSE]                          |
|     Write the version number of the tautomer program to   |
|     standard output (e.g. 4.82) and exit. If the tautomer |
|     program is not accessible for any reason, write 000.  |
|                                                           |
| $ tautomer -UNIQUE [TRUE|FALSE]                           |
|     Writes the canonical tautomer to the output.          |
|     The current definition of canonical tautomer is the   |
|     first when sorted lexically/alphabetically, but this  |
|     may change in future versions.  A single SMILES is    |
|     written for each input SMILES and the output contains |
|     no blank lines as separators.                         |
|                                                           |
| $ tautomer -HETERO [TRUE|FALSE]                           |
|     Causes the program to only allow heteroatoms to       |
|     participate as hydrogen donors or acceptors.          |
|     Effectively this mode suppresses keto-enol type       |
|     tautomerism.                                          |
|                                                           |
| $ tautomer -ISO [TRUE|FALSE]                              |
|     Keeps isomeric information in the SMILES and operates |
|     at the absolute SMILES level.  The default behavior,  |
|     without the -i option, is to operate at the unique    |
|     SMILES level.                                         |
|                                                           |
| $ tautomer -KEKULE [TRUE|FALSE]                           |
|     Causes the program to generate kekule structures      |
|     using dt_xsmiles() rather than canonical SMILES as    |
|     generated by dt_cansmiles().  This is useful for      |
|     determining the bond orders of aromatic systems.      |
|                                                           |
+-----------------------------------------------------------+

$ tautomer
$SMI<Oc1ccccc1<
|
$SMI<Oc1ccccc1>
TAUT<Oc1ccccc1>
TAUT<O=C1CC=CC=C1>
TAUT<O=C1C=CCC=C1>
TAUT<O=C1CC=CC=C1>
|

$ tautomertalk
Welcome to tautomertalk
Qwerty: Over.
Oc1ccccc1
Qwerty: Over.
Oc1ccccc1
O=C1CC=CC=C1
O=C1C=CCC=C1
O=C1CC=CC=C1
Qwerty: Over.