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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
PeerJ Inc.
2013
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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. |
format | Online Article Text |
id | pubmed-3661355 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | PeerJ Inc. |
record_format | MEDLINE/PubMed |
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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