Treffer: BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation tools

Title:
BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation tools
Authors:
Bayarri, Genís, Andrio, Pau, Hospital, Adam, Orozco, Modesto, Gelpi, Josep
Contributors:
Barcelona Supercomputing Center
Publisher Information:
Oxford University Press
Publication Year:
2022
Collection:
Universitat Politècnica de Catalunya, BarcelonaTech: UPCommons - Global access to UPC knowledge
Subject Terms:
Àrees temàtiques de la UPC::Informàtica::Aplicacions de la informàtica::Bioinformàtica, Application program interfaces (Computer software), Bioinformatics, Data sharing, Biomolecular simulation, Simulació per ordinador
Document Type:
Fachzeitschrift article in journal/newspaper
File Description:
application/pdf
Language:
English
Relation:
info:eu-repo/grantAgreement/EC/H2020/823830/EU/BioExcel Centre of Excellence for ComputationalBiomolecular Research/BioExcel-2; Bayarri, G. [et al.]. BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation tools. "Bioinformatics", Maig 2022, btac316.; http://hdl.handle.net/2117/367414
DOI:
10.1093/bioinformatics/btac316
Availability:
http://hdl.handle.net/2117/367414
https://doi.org/10.1093/bioinformatics/btac316
Rights:
Open Access
Accession Number:
edsbas.DF3E61D3
Database:
BASE

Weitere Informationen

Motivation The BioExcel Building Blocks (BioBB) library offers a broad collection of wrappers on top of common biomolecular simulation and bioinformatics tools. The possibility to access the library remotely and programmatically increases its usability, allowing individual and sporadic executions and enabling remote workflows. Results BioBB REST API extends and complements the BioBB library offering programmatic access to the collection of biomolecular simulation tools included in the BioExcel Building Blocks library. Molecular Dynamics setup, docking, structure modeling, free energy simulations, and flexibility analyses are examples of functionalities included in the endpoints collection. All functionalities are accessible through standard REST API calls, voiding the need for tool installation. Availability All the information related to the BioBB REST API endpoints is accessible from https://mmb.irbbarcelona.org/biobb-api/. Links to extended documentation, including OpenAPI endpoints specification and examples, Read-The-Docs documentation and a complete workflow tutorial can be found in the Suppl. Table 1. ; Peer Reviewed ; Postprint (author's final draft)