Open Babel Tools, version 2.3.2
-----------------------

This directory contains a selection of ready-to-use tools for a
variety of tasks in molecular modeling, cheminformatics, and related
areas. Most are designed as command-line utilies for any operating
system.

* obabel      Interconvert file formats; molecule manipulation, filtering, etc.
* babel       Deprecated version of obabel
* obchiral    Lists chiral centers in a molecule
* obenergy    Forcefield calculation of the energy for a molecule
* obminimize  Forcefield minimization of the energy of a molecule
* obconformer Forcefield Monte Carlo conformer search
* obprobe     Calculate grid of energy of a probe atom around a molecule
* obfit       Superimpose two molecules based on a SMARTS pattern  
* obrms       Returns the rms between two chemically identical structures
* obgen       Developmental tool to generate 3D coordinates for SMILES
* obgrep      Chemical searching using SMARTS patterns
* obprop      Generate lists of properties for molecular files
* obrotamer   Generate random rotamer/conformer coordinates
* obrotate    Rotate dihedral angles defined by particular SMARTS patterns
* obspectrophore Generate spectrophores
* obthermo    Extract thermochemistry data from quantum chemistry calculations
