Article

Visualization of molecular quantum dynamics: a molecular visualization tool with integrated Web3D and haptics

Authors:

R. Andrew Davies,

John N. MacDonald,

Keith H. HughesAuthors Info & Claims

Web3D '05: Proceedings of the tenth international conference on 3D Web technology

Pages 143 - 150

https://doi.org/10.1145/1050491.1050512

Published: 29 March 2005 Publication History

Abstract

The Department of Chemistry and the School of Informatics at the University of Wales, Bangor are working together to create tools for the visualization of molecular quantum dynamics. This paper presents the results of our initial work. A prototype Molecular Visualiser (MV) application has been developed based on Web3D standards, plus extensions for support of haptic interaction. MV provides the user with visualizations of molecular systems, potential energy surfaces, and wavepacket dynamics. These can be displayed in a web browser using VRML, or be delivered to a virtual environment in which haptic properties have been assigned based on the molecular dynamics of the system. The use of MV for both research and teaching is discussed.

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Cited By

Ucar EUstunel HCivelek TUmut I(2017)Effects of using a force feedback haptic augmented simulation on the attitudes of the gifted students towards studying chemical bonds in virtual reality environmentBehaviour & Information Technology10.1080/0144929X.2016.126448336:5(540-547)Online publication date: 1-May-2017
https://dl.acm.org/doi/10.1080/0144929X.2016.1264483
Iakovou GHayward SLaycock S(2017)Virtual Environment for Studying the Docking Interactions of Rigid Biomolecules with HapticsJournal of Chemical Information and Modeling10.1021/acs.jcim.7b0005157:5(1142-1152)Online publication date: 3-May-2017
https://doi.org/10.1021/acs.jcim.7b00051
dos Santos Baglie LNeto Mde Paiva Guimarães MBrega J(2017)Distributed, Immersive and Multi-platform Molecular Visualization for Chemistry LearningComputational Science and Its Applications – ICCSA 201710.1007/978-3-319-62392-4_41(569-584)Online publication date: 6-Jul-2017
https://doi.org/10.1007/978-3-319-62392-4_41
Show More Cited By

Index Terms

Visualization of molecular quantum dynamics: a molecular visualization tool with integrated Web3D and haptics
1. Applied computing
  1. Document management and text processing
    1. Document capture
      1. Graphics recognition and interpretation
  2. Physical sciences and engineering
    1. Chemistry
2. Computing methodologies
  1. Computer graphics

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Published In

cover image ACM Conferences

Web3D '05: Proceedings of the tenth international conference on 3D Web technology

March 2005

191 pages

ISBN:1595930124

DOI:10.1145/1050491

Conference Chairs:
Nigel John
University of Wales, Bangor, UK
,
Sandy Ressler
National Institute of Standards and Technology, USA
,
Program Chairs:
Luca Chittaro
University of Udine, Italy
,
David Duce
Oxford Brookes University, UK

Copyright © 2005 ACM.

Permission to make digital or hard copies of all or part of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. Copyrights for components of this work owned by others than ACM must be honored. Abstracting with credit is permitted. To copy otherwise, or republish, to post on servers or to redistribute to lists, requires prior specific permission and/or a fee. Request permissions from [email protected]

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SIGGRAPH: ACM Special Interest Group on Computer Graphics and Interactive Techniques

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Association for Computing Machinery

New York, NY, United States

Publication History

Published: 29 March 2005

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Web3D05

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SIGGRAPH

Web3D05: 10th International Conference on 3D Web Technology 2005

March 29 - April 1, 2005

Bangor, United Kingdom

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Overall Acceptance Rate 27 of 71 submissions, 38%

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Citations

Cited By

Ucar EUstunel HCivelek TUmut I(2017)Effects of using a force feedback haptic augmented simulation on the attitudes of the gifted students towards studying chemical bonds in virtual reality environmentBehaviour & Information Technology10.1080/0144929X.2016.126448336:5(540-547)Online publication date: 1-May-2017
https://dl.acm.org/doi/10.1080/0144929X.2016.1264483
Iakovou GHayward SLaycock S(2017)Virtual Environment for Studying the Docking Interactions of Rigid Biomolecules with HapticsJournal of Chemical Information and Modeling10.1021/acs.jcim.7b0005157:5(1142-1152)Online publication date: 3-May-2017
https://doi.org/10.1021/acs.jcim.7b00051
dos Santos Baglie LNeto Mde Paiva Guimarães MBrega J(2017)Distributed, Immersive and Multi-platform Molecular Visualization for Chemistry LearningComputational Science and Its Applications – ICCSA 201710.1007/978-3-319-62392-4_41(569-584)Online publication date: 6-Jul-2017
https://doi.org/10.1007/978-3-319-62392-4_41
Asai KTakase NSato M(2016)Development View and Cut Generation of 3D Object Surface for Simulating Haptic Feedback with 2D Lateral Force2016 20th International Conference Information Visualisation (IV)10.1109/IV.2016.74(247-252)Online publication date: Jul-2016
https://doi.org/10.1109/IV.2016.74
Iakovou GHayward SLaycock S(2014)A real-time proximity querying algorithm for haptic-based molecular dockingFaraday Discuss.10.1039/C3FD00123G169(359-377)Online publication date: 2014
https://doi.org/10.1039/C3FD00123G
Costantini AGervasi OZollo FCaprini L(2014)User Interaction and Data Management for Large Scale Grid ApplicationsJournal of Grid Computing10.1007/s10723-014-9300-012:3(485-497)Online publication date: 1-Sep-2014
https://dl.acm.org/doi/10.1007/s10723-014-9300-0
Hou XSourina O(2011)Six degree-of-freedom haptic rendering for biomolecular dockingTransactions on computational science XII10.5555/2028483.2028489(98-117)Online publication date: 1-Jan-2011
https://dl.acm.org/doi/10.5555/2028483.2028489
Zollo FCaprini LGervasi OCostantini ARoyan JPreda MBoubekeur TPolys N(2011)X3DMMSProceedings of the 16th International Conference on 3D Web Technology10.1145/2010425.2010448(129-136)Online publication date: 20-Jun-2011
https://dl.acm.org/doi/10.1145/2010425.2010448
Hou XSourina O(2011)Six Degree-of-Freedom Haptic Rendering for Biomolecular DockingTransactions on Computational Science XII10.1007/978-3-642-22336-5_6(98-117)Online publication date: 2011
https://doi.org/10.1007/978-3-642-22336-5_6
Comai SMazza DMcEwan TMcKinnon L(2010)Haptic and visual rendering for multi-modal exploration of molecular informationProceedings of the 24th BCS Interaction Specialist Group Conference10.5555/2146303.2146337(221-229)Online publication date: 6-Sep-2010
https://dl.acm.org/doi/10.5555/2146303.2146337
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