Install Open Babel Binary Package on macOS

This section provides a tutorial example on how to install Open Babel from a binary package on macOS computers.

The easiest option to install Open Babel on macOS computers is to install the Open Babel pre-compiled binary package as shown in this tutorial.

1. Go to Open Babel SourceForge.net Website at https://sourceforge.net/projects/openbabel.

2. Click to open "Files > openbabel > 2.3.1" folder. You see a list of Open Babel 2.3.1 download files.

3. Click "OpenBabel-2.3.1.mac.zip" to download the Open Babel binary package for macOS computers.

4. Unzip the donwlodad file "OpenBabel-2.3.1.mac.zip". You see the 3 files in a sub-folder:

  -rw-r--r--@ 1 herong  staff      1804 Oct 17  2011  ReadMe.rtf
  -rw-r--r--@ 1 herong  admin     18504 May 10  2006 License.rtf
  -rw-r--r--@ 1 herong  admin  11429471 Oct 17  2011 OpenBabel.pkg

5. Click to open "OpenBabel.pkg" to start the installation. And finish the installation with default options.

6. Open a terminal window and verify the installation.

herong$ babel -V

Open Babel 2.3.1 -- Oct 13 2011 -- 15:14:47

7. Verify all commands provided by Open Babel.

herong$ ls -l /usr/local/bin

-rwxr-xr-x  1 root  wheel  123424 Oct 17  2011 babel
-rwxr-xr-x  1 root  wheel  123104 Oct 17  2011 obabel
-rwxr-xr-x  1 root  wheel   89520 Oct 17  2011 obchiral
-rwxr-xr-x  1 root  wheel   86968 Oct 17  2011 obconformer
-rwxr-xr-x  1 root  wheel   96184 Oct 17  2011 obenergy
-rwxr-xr-x  1 root  wheel  121888 Oct 17  2011 obfit
-rwxr-xr-x  1 root  wheel   96448 Oct 17  2011 obgen
-rwxr-xr-x  1 root  wheel   99856 Oct 17  2011 obgrep
-rwxr-xr-x  1 root  wheel  105248 Oct 17  2011 obminimize
-rwxr-xr-x  1 root  wheel   97008 Oct 17  2011 obprobe
-rwxr-xr-x  1 root  wheel  105808 Oct 17  2011 obprop
-rwxr-xr-x  1 root  wheel   96640 Oct 17  2011 obrotamer
-rwxr-xr-x  1 root  wheel   94712 Oct 17  2011 obrotate
-rwxr-xr-x  1 root  wheel  180768 Oct 17  2011 obspectrophore
...

Table of Contents

 About This Book

 SMILES (Simplified Molecular-Input Line-Entry System)

Open Babel: The Open Source Chemistry Toolbox

 What Is Open Babel

 Install Open Babel with Anaconda

 Install Open Babel on Windows Computers

 Run Open Babel GUI on Windows Computers

 Change Display Command on Open Babel GUI

 Open Babel Installation Options on Linux

 Install Open Babel Binary Package on CentOS

 "Open Babel Error in LoadAllPlugins" Error

 Install Open Babel from Source Code

 Install Open Babel 2.4.1 from Source Code

 Open Babel Installation Options on macOS

Install Open Babel Binary Package on macOS

 Using Open Babel Command: "obabel"

 Generating SVG Pictures with Open Babel

 Substructure Search with Open Babel

 Similarity Search with Open Babel

 Fingerprint Index for Fastsearch with Open Babel

 Stereochemistry with Open Babel

 Command Line Tools Provided by Open Babel

 RDKit: Open-Source Cheminformatics Software

 rdkit.Chem.rdchem - The Core Module

 rdkit.Chem.rdmolfiles - Molecular File Module

 rdkit.Chem.rdDepictor - Compute 2D Coordinates

 rdkit.Chem.Draw - Handle Molecule Images

 Molecule Substructure Search with RDKit

 rdkit.Chem.rdmolops - Molecule Operations

 Daylight Fingerprint Generator in RDKit

 Morgan Fingerprint Generator in RDKit

 RDKit Performance on Substructure Search

 Introduction to Molecular Fingerprints

 OCSR (Optical Chemical Structure Recognition)

 AlphaFold - Protein Structure Prediction

 Resources and Tools

 Cheminformatics Related Terminologies

 References

 Full Version in PDF/EPUB