Create molecules using Python

To create molecules, Python bindings give you access to all modeling capabilities from SAMSON’s C++ core.

Add atoms, bonds, molecules, crystals, automatically find covalent bonds, add hydrogens, etc., and minimize. All in a few lines.

Use the Code Editor to edit scripts and apps from within SAMSON (Ctrl / Cmd + 9), and embed them into your documents to share with colleagues.

Get the example document at

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