MOLEKEL: An Interactive Molecular Graphics Tool

Computational Chemistry Column

Authors

  • Stefan Portmann
  • Hans Peter Lüthi

DOI:

https://doi.org/10.2533/chimia.2000.766

Keywords:

Computational chemistry, Molecular graphics, Opengl, Quantum chemistry, Visualization

Abstract

MOLEKEL is an interactive visualization ('postprocessing') program for molecular and electronic structure data, generating high-quality graphics for use in research and education. MOLEKEL has been ported to OpenGL and is now available on a number of platforms, including PC (http://www.cscs.ch/molekel/). We describe details of its implementation, capabilities and the new added features.

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Published

2000-12-20