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Coarse-grained simulations of biomolecular complexes

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Complexes

Notebook CI Pycomplexes CI complexespp CI

TOC

Complexes consists of two separate programs:

  • complexes++ a Monte-Carlo engine to run simulations
  • pycomplexes* a helper toolbox to setup and visualize simulations

Descriptions how to install each program can be found in the respective sub-directories.

Documentation

Tutorials

Tutorials how to use complexes++ and pycomplexes can be found in the tutorials folder.

Tutorials are jupyter notebooks that can be run once complexes++ and pycomplexes are correctly installed. They should be a good starting point for your own simulations.

Theory

In docs/theory.pdf we explain the theory behind complexes.

Architecture

If you are interested how the code of complexes is designed or want to extent it. In docs/architecture.pdf we explain the code architecture of complexes.

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