PDBImages: a command-line tool for automated macromolecular structure visualization

. 2023 Dec 01 ; 39 (12) : .

Jazyk angličtina Země Velká Británie, Anglie Médium print

Typ dokumentu časopisecké články, práce podpořená grantem

Perzistentní odkaz   https://www.medvik.cz/link/pmid38085238

Grantová podpora
Wellcome Trust - United Kingdom
218303/Z/19/Z Wellcome Trust - United Kingdom
Biotechnology and Biological Sciences Research Council - United Kingdom

SUMMARY: PDBImages is an innovative, open-source Node.js package that harnesses the power of the popular macromolecule structure visualization software Mol*. Designed for use by the scientific community, PDBImages provides a means to generate high-quality images for PDB and AlphaFold DB models. Its unique ability to render and save images directly to files in a browserless mode sets it apart, offering users a streamlined, automated process for macromolecular structure visualization. Here, we detail the implementation of PDBImages, enumerating its diverse image types, and elaborating on its user-friendly setup. This powerful tool opens a new gateway for researchers to visualize, analyse, and share their work, fostering a deeper understanding of bioinformatics. AVAILABILITY AND IMPLEMENTATION: PDBImages is available as an npm package from https://www.npmjs.com/package/pdb-images. The source code is available from https://github.com/PDBeurope/pdb-images.

Zobrazit více v PubMed

Andreeva A, Kulesha E, Gough J. et al. The SCOP database in 2020: expanded classification of representative family and superfamily domains of known protein structures. Nucleic Acids Res 2020;48:D376–82. PubMed PMC

Armstrong DR, Berrisford JM, Conroy MJ. et al. PDBe: improved findability of macromolecular structure data in the PDB. Nucleic Acids Res 2020;48:D335–43. PubMed PMC

Cunningham F, Allen JE, Allen J. et al. Ensembl 2022. Nucleic Acids Res 2022;50:D988–95. PubMed PMC

Dana JM, Gutmanas A, Tyagi N. et al. SIFTS: updated structure integration with function, taxonomy and sequences resource allows 40-fold increase in coverage of structure-based annotations for proteins. Nucleic Acids Res 2019;47:D482–9. PubMed PMC

Goddard TD, Ferrin TE.. Visualisation software for molecular assemblies. Curr Opin Struct Biol 2007;17:587–95. PubMed PMC

Hanson RM, Prilusky J, Renjian Z. et al. JSmol and the next-generation web-based representation of 3D molecular structure as applied to proteopedia. Isr J Chem 2013;53:207–16.

Heinrich J, Burch M, O'Donoghue SI. et al. On the use of 1D, 2D, and 3D visualisation for molecular graphics. In: 2014 IEEE VIS International Workshop on 3DVis (3DVis), 9 November 2014, Paris, France. Piscataway, NJ: IEEE. 55–60. 2014.

Jumper J, Evans R, Pritzel A. et al. Highly accurate protein structure prediction with AlphaFold. Nature 2021;596:583–9. PubMed PMC

Kalvari I, Nawrocki EP, Ontiveros-Palacios N. et al. Rfam 14: expanded coverage of metagenomic, viral and microRNA families. Nucleic Acids Res 2021;49:D192–200. PubMed PMC

Kozlíková B, Krone M, Falk M. et al. Visualization of biomolecular structures: state of the art revisited. Comput Graph Forum 2017;36:178–204.

Mistry J, Chuguransky S, Williams L. et al. Pfam: the protein families database in 2021. Nucleic Acids Res 2020;49:D412–9. PubMed PMC

O'Donoghue SI. Grand challenges in bioinformatics data visualization. Front Bioinform 2021;1:669186. PubMed PMC

O'Donoghue SI, Goodsell DS, Frangakis AS. et al. Visualization of macromolecular structures. Nat Methods 2010;7:S42–55. PubMed PMC

Olson AJ. Perspectives on structural molecular biology visualization: from past to present. J Mol Biol 2018;430:3997–4012. PubMed PMC

Paysan-Lafosse T, Blum M, Chuguransky S. et al. InterPro in 2022. Nucleic Acids Res 2023;51:D418–27. PubMed PMC

Pettersen EF, Goddard TD, Huang CC. et al. UCSF ChimeraX: structure visualization for researchers, educators, and developers. Protein Sci 2021;30:70–82. PubMed PMC

Schrödinger, LLC. The PyMOL Molecular Graphics System. Version 2.5. New York, NY: Schrödinger, LLC. 2022.

Sehnal D, Bittrich S, Deshpande M. et al. Mol* Viewer: modern web app for 3D visualization and analysis of large biomolecular structures. Nucleic Acids Res 2021;49:W431–7. PubMed PMC

Sillitoe I, Bordin N, Dawson N. et al. CATH: increased structural coverage of functional space. Nucleic Acids Res 2021;49:D266–73. PubMed PMC

The UniProt Consortium. UniProt: the universal protein knowledgebase in 2023. Nucleic Acids Res 2023;51:D523–31. PubMed PMC

Varadi M, Anyango S, Deshpande M. et al. AlphaFold protein structure database: massively expanding the structural coverage of protein-sequence space with high-accuracy models. Nucleic Acids Res 2021;50:D439–44. PubMed PMC

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