Lightweight object oriented structure analysis: Tools for building tools to analyze molecular dynamics simulations

@article{Romo2014LightweightOO,
  title={Lightweight object oriented structure analysis: Tools for building tools to analyze molecular dynamics simulations},
  author={Tod D. Romo and Nicholas Leioatts and Alan Grossfield},
  journal={Journal of computational chemistry},
  year={2014},
  volume={35 32},
  pages={2305-18}
}
LOOS (Lightweight Object Oriented Structure-analysis) is a C++ library designed to facilitate making novel tools for analyzing molecular dynamics simulations by abstracting out the repetitive tasks, allowing developers to focus on the scientifically relevant part of the problem. LOOS supports input using the native file formats of most common biomolecular… CONTINUE READING