MolMod by example

If you are not familiar with Python yet, check out these introductory slides:

Python for absolute beginners

Each chapter in this examples tutorial illustrates some related features of the MolMod library, and always contains three sections: introduction, examples, and problems. All examples can be found in the molmod/examples directory in the source tree. The example scripts contain comments to explain the individual steps. In the tutorial text, some more background is provided.

• Unit conversion
  • Introduction
  • Examples
  • Problems
• Working with molecules
  • Introduction
  • Examples
  • Problems
• Working with molecular graphs
  • Introduction
  • Examples
  • Problems
• Internal coordinates
  • Introduction
  • Examples
  • Problems
• Pattern-matching in molecular graphs
  • Introduction
  • Examples
  • Problems