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Physics Commons

Open Access. Powered by Scholars. Published by Universities.®

2014

Clemson University

Molecular Modeling

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Protein Nano-Object Integrator: Generating Atomic-Style Objects For Use In Molecular Biophysics, Nicholas Smith Aug 2014

Protein Nano-Object Integrator: Generating Atomic-Style Objects For Use In Molecular Biophysics, Nicholas Smith

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As researchers obtain access to greater and greater amounts of computational power, focus has shifted towards modeling macroscopic objects while still maintaining atomic-level details. The Protein Nano-Object Integrator (ProNOI) presented here has been designed to provide a streamlined solution for creating and designing macro-scale objects with atomic-level details to be used in molecular simulations and tools. To accomplish this, two different interfaces were developed: a Protein Data Bank (PDB), PDB-focused interface for generating regularly-shaped three-dimensional atomic objects and a 2D image-based interface for tracing images with irregularly shaped objects and then extracting three-dimensional models from these images. Each interface is …