Pteros  2.0
Molecular modeling library for human beings!
Basic principles

Pteros is developed according to the following principles

  • API should be simple and intuitive to use
  • Low-level detailes should never be exposed to the user
  • Performance should never be compromised
  • C++ and Python APIs should be the same except for the language-specific features

Pteros is C++ library with Python bindings. This means that the Python part is only a wrapper over C++ backend. All new features are implemented in C++ and than exposed to Python.

Library structure

Include files