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PeptideBuilder: A simple Python library to generate model peptides

We present a simple Python library to construct models of polypeptides from scratch. The intended use case is the generation of peptide models with pre-specified backbone angles. For example, using our library, one can generate a model of a set of amino acids in a specific conformation using just a...

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Detalles Bibliográficos
Autores principales: Tien, Matthew Z., Sydykova, Dariya K., Meyer, Austin G., Wilke, Claus O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: PeerJ Inc. 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3661355/
https://www.ncbi.nlm.nih.gov/pubmed/23717802
http://dx.doi.org/10.7717/peerj.80
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author Tien, Matthew Z.
Sydykova, Dariya K.
Meyer, Austin G.
Wilke, Claus O.
author_facet Tien, Matthew Z.
Sydykova, Dariya K.
Meyer, Austin G.
Wilke, Claus O.
author_sort Tien, Matthew Z.
collection PubMed
description We present a simple Python library to construct models of polypeptides from scratch. The intended use case is the generation of peptide models with pre-specified backbone angles. For example, using our library, one can generate a model of a set of amino acids in a specific conformation using just a few lines of python code. We do not provide any tools for energy minimization or rotamer packing, since powerful tools are available for these purposes. Instead, we provide a simple Python interface that enables one to add residues to a peptide chain in any desired conformation. Bond angles and bond lengths can be manipulated if so desired, and reasonable values are used by default.
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spelling pubmed-36613552013-05-28 PeptideBuilder: A simple Python library to generate model peptides Tien, Matthew Z. Sydykova, Dariya K. Meyer, Austin G. Wilke, Claus O. PeerJ Biochemistry We present a simple Python library to construct models of polypeptides from scratch. The intended use case is the generation of peptide models with pre-specified backbone angles. For example, using our library, one can generate a model of a set of amino acids in a specific conformation using just a few lines of python code. We do not provide any tools for energy minimization or rotamer packing, since powerful tools are available for these purposes. Instead, we provide a simple Python interface that enables one to add residues to a peptide chain in any desired conformation. Bond angles and bond lengths can be manipulated if so desired, and reasonable values are used by default. PeerJ Inc. 2013-05-21 /pmc/articles/PMC3661355/ /pubmed/23717802 http://dx.doi.org/10.7717/peerj.80 Text en © 2013 Tien et al. http://creativecommons.org/licenses/by/3.0/ This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/3.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
spellingShingle Biochemistry
Tien, Matthew Z.
Sydykova, Dariya K.
Meyer, Austin G.
Wilke, Claus O.
PeptideBuilder: A simple Python library to generate model peptides
title PeptideBuilder: A simple Python library to generate model peptides
title_full PeptideBuilder: A simple Python library to generate model peptides
title_fullStr PeptideBuilder: A simple Python library to generate model peptides
title_full_unstemmed PeptideBuilder: A simple Python library to generate model peptides
title_short PeptideBuilder: A simple Python library to generate model peptides
title_sort peptidebuilder: a simple python library to generate model peptides
topic Biochemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3661355/
https://www.ncbi.nlm.nih.gov/pubmed/23717802
http://dx.doi.org/10.7717/peerj.80
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