About NanoCap

NanoCap provides a simple framework for constructing carbon fullerenes and nanotubes. Within this framework, NanoCap can be used as a standalone desktop application to aid projects involving the modelling of fullerenes or nanotubes. Alternatively, the NanoCap libraries can be embedded in pre-existing code to harness the core functionality of NanoCap without the overhead of interfaces.

NanoCap is written in a combination of Python, C and Fortran backed by an SQL database. Capitalising on the advantages inherent to each language allows for a flexible yet efficient framework. For a closer look at the code, algorithms and scientific theory behind NanoCap please consult the documentation.

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Journal Publications

NanoCap is associated with two peer-reviewed publications. If you use NanoCap in your work, please cite the following:


NanoCap is distributed under the Creative Commons Attribution-NonCommercial 2.5 License . In addition to the linked description, a full description of this license and associated licences are bundled with the NanoCap application and source.


The NanoCap project has utilised a multitude of third-party libraries and utilities. Below is a comprehensive list of each resource:

  • NumPy
  • SciPy
  • SQLite3
Force Fields:
  • EDIP (custom Python-Fortran interface)
  • VTK
  • Qt (PySide)
  • LaTex
  • PlasTeX
  • Pygments
  • PyReverse
  • Graphviz