AMS Conformer Generator Tools for Molecules

Note

This is an alpha release of the AMSConformers toolkit. It is mostly feature complete, but some APIs might still change in the future. Of course it might also contain some bugs. If you are interested in trying AMSConformers, feel free to get in touch with us at support@scm.com. We are happy to get you started and appreciate all kinds of feedback on AMSConformers.

Table of contents

• 1. AMSConformers
  • 1.1. Python library for conformer generation
  • 1.2. Simple example
  • 1.3. Comparing conformer sets
• 2. Components
  • 2.1. Conformers
  • 2.2. Generators
  • 2.3. ConformerOptimizer