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Stmol: A component for building interactive molecular visualizations within streamlit web-applications
Streamlit is an open-source Python coding framework for building web-applications or “web-apps” and is now being used by researchers to share large data sets from published studies and other resources. Here we present Stmol, an easy-to-use component for rendering interactive 3D molecular visualizati...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Frontiers Media S.A.
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9538479/ https://www.ncbi.nlm.nih.gov/pubmed/36213112 http://dx.doi.org/10.3389/fmolb.2022.990846 |
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author | Nápoles-Duarte, J.M. Biswas, Avratanu Parker, Mitchell I. Palomares-Baez, J.P. Chávez-Rojo, M. A. Rodríguez-Valdez, L. M. |
author_facet | Nápoles-Duarte, J.M. Biswas, Avratanu Parker, Mitchell I. Palomares-Baez, J.P. Chávez-Rojo, M. A. Rodríguez-Valdez, L. M. |
author_sort | Nápoles-Duarte, J.M. |
collection | PubMed |
description | Streamlit is an open-source Python coding framework for building web-applications or “web-apps” and is now being used by researchers to share large data sets from published studies and other resources. Here we present Stmol, an easy-to-use component for rendering interactive 3D molecular visualizations of protein and ligand structures within Streamlit web-apps. Stmol can render protein and ligand structures with just a few lines of Python code by utilizing popular visualization libraries, currently Py3DMol and Speck. On the user-end, Stmol does not require expertise to interactively navigate. On the developer-end, Stmol can be easily integrated within structural bioinformatic and cheminformatic pipelines to provide a simple means for user-end researchers to advance biological studies and drug discovery efforts. In this paper, we highlight a few examples of how Stmol has already been utilized by scientific communities to share interactive molecular visualizations of protein and ligand structures from known open databases. We hope Stmol will be used by researchers to build additional open-sourced web-apps to benefit current and future generations of scientists. |
format | Online Article Text |
id | pubmed-9538479 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Frontiers Media S.A. |
record_format | MEDLINE/PubMed |
spelling | pubmed-95384792022-10-08 Stmol: A component for building interactive molecular visualizations within streamlit web-applications Nápoles-Duarte, J.M. Biswas, Avratanu Parker, Mitchell I. Palomares-Baez, J.P. Chávez-Rojo, M. A. Rodríguez-Valdez, L. M. Front Mol Biosci Molecular Biosciences Streamlit is an open-source Python coding framework for building web-applications or “web-apps” and is now being used by researchers to share large data sets from published studies and other resources. Here we present Stmol, an easy-to-use component for rendering interactive 3D molecular visualizations of protein and ligand structures within Streamlit web-apps. Stmol can render protein and ligand structures with just a few lines of Python code by utilizing popular visualization libraries, currently Py3DMol and Speck. On the user-end, Stmol does not require expertise to interactively navigate. On the developer-end, Stmol can be easily integrated within structural bioinformatic and cheminformatic pipelines to provide a simple means for user-end researchers to advance biological studies and drug discovery efforts. In this paper, we highlight a few examples of how Stmol has already been utilized by scientific communities to share interactive molecular visualizations of protein and ligand structures from known open databases. We hope Stmol will be used by researchers to build additional open-sourced web-apps to benefit current and future generations of scientists. Frontiers Media S.A. 2022-09-23 /pmc/articles/PMC9538479/ /pubmed/36213112 http://dx.doi.org/10.3389/fmolb.2022.990846 Text en Copyright © 2022 Nápoles-Duarte, Biswas, Parker, Palomares-Baez, Chávez-Rojo and Rodríguez-Valdez. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. |
spellingShingle | Molecular Biosciences Nápoles-Duarte, J.M. Biswas, Avratanu Parker, Mitchell I. Palomares-Baez, J.P. Chávez-Rojo, M. A. Rodríguez-Valdez, L. M. Stmol: A component for building interactive molecular visualizations within streamlit web-applications |
title | Stmol: A component for building interactive molecular visualizations within streamlit web-applications |
title_full | Stmol: A component for building interactive molecular visualizations within streamlit web-applications |
title_fullStr | Stmol: A component for building interactive molecular visualizations within streamlit web-applications |
title_full_unstemmed | Stmol: A component for building interactive molecular visualizations within streamlit web-applications |
title_short | Stmol: A component for building interactive molecular visualizations within streamlit web-applications |
title_sort | stmol: a component for building interactive molecular visualizations within streamlit web-applications |
topic | Molecular Biosciences |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9538479/ https://www.ncbi.nlm.nih.gov/pubmed/36213112 http://dx.doi.org/10.3389/fmolb.2022.990846 |
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