molecule3D

Draw molecules as balls and sticks based on an xyz matrix containing the positions of the atoms

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molecule3D allows you to draw molecules based on a xyz matrix containing the atom positions in Ångström. You can choose between the different plotting styles "balls and sticks", "licorice structure" and "large orbitals". The function identifies bonds based on the distance between two atoms and adapts the color and geometry based on built-in preferences.

Cite As

André (2026). molecule3D (https://se.mathworks.com/matlabcentral/fileexchange/55231-molecule3d), MATLAB Central File Exchange. Retrieved .

Acknowledgements

Inspired by: Molecule Viewer

Inspired: atom, Catalogue_molecule3D.m Stand-Alone conversion

General Information

MATLAB Release Compatibility

  • Compatible with any release

Platform Compatibility

  • Windows
  • macOS
  • Linux
Version Published Release Notes Action
1.2.0.0

Minor changes, changed color scheme to CPK coloring

1.1.0.0

Minor changes, changed color scheme to CPK coloring

1.0.0.0