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Revision as of 15:38, 17 September 2015

Software Libraries

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Libray Description
Python Python is a general purpose, interpreted, cross-platform, object-oriented, open-source programming language widely used in the scientific world.
OpenMM We used OpenMM for molecular simulation, specifically to compute the energy levels of given systems consisting of a ligand and an aptamere.
NumPy NumPy is a fundamental package for scientific computing with Python, version 1.9.2 has been used to hel us doing math.
Amber Amber is a toolkit for molecular diynamic computations.
pexpect pexpect is a Python module for handling child applications.
mpmath mpmath is a Python library for real and complex floating point arithmetic with arbitrary precicion.