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ELL - Energy Landscape Library

ELL - 3.0.0

This document provides reference information about the Energy Landscape Library.

The goal

This C++ programming library provides a platform for generic algorithms to study kinetics and structure of energy landscapes with descrete states. This algorithms need an abstract representation of this states to be applied to a multitude of models and the corresponding energy or fitness landscapes.


Generic algorithms

A set of walks to traverse energy landscapes:
  • random walks
  • adaptive walks
  • gradient (steepest descent) walks
  • Monte Carlo walks with Metropolis criterion
  • low energy path calculation for RNA landscapes using the heuristic by Morgan and Higgs

A walk based barrier estimation in the landscape
  • a direct walk based estimation using pairs of minima (e.g. Morgan-Higgs heuristic for RNA landscapes)
  • an up- and down-walk based estimation starting in a known minimum of landscape and ending in another one. If this is unknown it can be added.

Exhaustive landscape flooding:
  • flooding of single basins (standard via hash and a more memory efficient version)
  • flooding of multiple basins in parallel (in preparation)

All algorithms are fully parameterisable and very flexible concerning output and results. So they can be set up to:
  • write all visited states to stream
  • collect them in listings (also compressed possible)
  • calculate the canonical partition function of the visited states (e.g. of a gradient basin of a minimum)
  • perform any wanted operation by overwriting the corresponding reporter classes

States = Landscape Models

Landscape Topology Representations

To allow for a coarse grained landscape topology representation of minima and additional information as barriers, saddle points, etc. we provide a set of representations via subclassing of LandscapeTopology:

General features


The ELL depends on the following libraries:


Additionally, the documentation also features the following parts:

The following lists and indices are available