Comparing position and force control for interactive molecular simulators with haptic feedback
Identifieur interne : 000318 ( Hal/Checkpoint ); précédent : 000317; suivant : 000319Comparing position and force control for interactive molecular simulators with haptic feedback
Auteurs : Aude Bolopion [France] ; Barthelemy Cagneau [France] ; Stephane Redon [France] ; Stéphane Régnier [France]Source :
- Journal of Molecular Graphics and Modelling [ 1093-3263 ] ; 2010-09-02.
English descriptors
Abstract
This paper presents a novel tool for the analysis of new molecular structures which enables a wide variety of manipulations. It is composed of a molecular simulator and a haptic device. The simulation software deals with systems of hundreds or thousands of degrees of freedom and computes the reconfiguration of the molecules in a few tenths of a second. For the ease of manipulation and to help the operator understand nanoscale phenomena, a haptic device is connected to the simulator. To handle a wide variety of applications, both position and force control are implemented. To our knowledge, this is the first time the applications of force control are detailed for molecular simulation. These two control modes are compared in terms of adequacy with molecular dynamics, transparency and stability sensitivity with respect to environmental conditions. Based on their specificity the operations they can realize are detailed. Experiments highlight the usability of our tool for the different steps of the analysis of molecular structures. It includes the global reconfiguration of a molecular system, the measurement of molecular properties and the comprehension of nanoscale interactions. Compared to most existing systems, the one developed in this paper offers a wide range of possible experiments. The detailed analysis of the properties of the control modes can be easily used to implement haptic feedback on other molecular simulators.
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DOI: 10.1016/j.jmgm.2010.06.003
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Paris VI Boite courrier 173 4 Place JUSSIEU 75252 Paris cedex 05</addrLine><country key="FR"></country></address><ref type="url">http://www.isir.upmc.fr</ref></desc><listRelation><relation active="#struct-93591" type="direct"></relation><relation name="UMR7222" active="#struct-441569" type="direct"></relation></listRelation><tutelles><tutelle active="#struct-93591" type="direct"><org type="institution" xml:id="struct-93591" status="VALID"><orgName>Université Pierre et Marie Curie - Paris 6</orgName><orgName type="acronym">UPMC</orgName><desc><address><addrLine>4 place Jussieu - 75005 Paris</addrLine><country key="FR"></country></address><ref type="url">http://www.upmc.fr/</ref></desc></org></tutelle><tutelle name="UMR7222" active="#struct-441569" type="direct"><org type="institution" xml:id="struct-441569" status="VALID"><idno type="ISNI">0000000122597504</idno><idno type="IdRef">02636817X</idno><orgName>Centre National de la Recherche Scientifique</orgName><orgName type="acronym">CNRS</orgName><date type="start">1939-10-19</date><desc><address><country key="FR"></country></address><ref type="url">http://www.cnrs.fr/</ref></desc></org></tutelle></tutelles></hal:affiliation><country>France</country></affiliation></author></analytic><idno type="DOI">10.1016/j.jmgm.2010.06.003</idno><series><title level="j">Journal of Molecular Graphics and Modelling</title><idno type="ISSN">1093-3263</idno><imprint><date type="datePub">2010-09-02</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="mix" xml:lang="en"><term>Force feedback</term><term>Haptic coupling</term><term>Molecular simulation</term><term>Stability</term><term>Transparency</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">This paper presents a novel tool for the analysis of new molecular structures which enables a wide variety of manipulations. It is composed of a molecular simulator and a haptic device. The simulation software deals with systems of hundreds or thousands of degrees of freedom and computes the reconfiguration of the molecules in a few tenths of a second. For the ease of manipulation and to help the operator understand nanoscale phenomena, a haptic device is connected to the simulator. To handle a wide variety of applications, both position and force control are implemented. To our knowledge, this is the first time the applications of force control are detailed for molecular simulation. These two control modes are compared in terms of adequacy with molecular dynamics, transparency and stability sensitivity with respect to environmental conditions. Based on their specificity the operations they can realize are detailed. Experiments highlight the usability of our tool for the different steps of the analysis of molecular structures. It includes the global reconfiguration of a molecular system, the measurement of molecular properties and the comprehension of nanoscale interactions. Compared to most existing systems, the one developed in this paper offers a wide range of possible experiments. The detailed analysis of the properties of the control modes can be easily used to implement haptic feedback on other molecular simulators.</div></front></TEI><hal api="V3"><titleStmt><title xml:lang="en">Comparing position and force control for interactive molecular simulators with haptic feedback</title><author role="aut"><persName><forename type="first">Aude</forename><surname>Bolopion</surname></persName><email>aude.bolopion@isir.upmc.fr</email><idno type="halauthor">557696</idno><affiliation ref="#struct-96164"></affiliation></author><author role="aut"><persName><forename type="first">Barthelemy</forename><surname>Cagneau</surname></persName><email></email><idno type="halauthor">406543</idno><affiliation ref="#struct-70384"></affiliation></author><author role="aut"><persName><forename type="first">Stephane</forename><surname>Redon</surname></persName><email>stephane.redon@inria.fr</email><ptr type="url" target="http://nano-d.inrialpes.fr/~redon"></ptr><idno type="halauthor">781213</idno><orgName ref="#struct-300009"></orgName><affiliation ref="#struct-55137"></affiliation></author><author role="aut"><persName><forename type="first">Stéphane</forename><surname>Régnier</surname></persName><email>stephane.regnier@isir.upmc.fr</email><idno type="halauthor">650964</idno><affiliation ref="#struct-96164"></affiliation></author><editor role="depositor"><persName><forename>Nano-D</forename><surname>Equipe</surname></persName><email>francois.rousse@inria.fr</email></editor><funder>This work was supported by the French National Agency of Research, through the PACMAN project.</funder></titleStmt><editionStmt><edition n="v1" type="current"><date type="whenSubmitted">2013-02-06 17:51:48</date><date type="whenModified">2015-09-15 01:07:01</date><date type="whenReleased">2013-02-07 09:47:20</date><date type="whenProduced">2010-09-02</date><date type="whenEndEmbargoed">2013-02-06</date><ref type="file" target="https://hal.archives-ouvertes.fr/hal-00748030/document"><date notBefore="2013-02-06"></date></ref><ref type="file" subtype="author" n="1" target="https://hal.archives-ouvertes.fr/hal-00748030/file/JMGM.pdf"><date notBefore="2013-02-06"></date></ref></edition><respStmt><resp>contributor</resp><name key="188371"><persName><forename>Nano-D</forename><surname>Equipe</surname></persName><email>francois.rousse@inria.fr</email></name></respStmt></editionStmt><publicationStmt><distributor>CCSD</distributor><idno type="halId">hal-00748030</idno><idno type="halUri">https://hal.archives-ouvertes.fr/hal-00748030</idno><idno type="halBibtex">bolopion:hal-00748030</idno><idno type="halRefHtml">Journal of Molecular Graphics and Modelling, Elsevier, 2010, 29 (2), pp.280-289. <10.1016/j.jmgm.2010.06.003></idno><idno type="halRef">Journal of Molecular Graphics and Modelling, Elsevier, 2010, 29 (2), pp.280-289. <10.1016/j.jmgm.2010.06.003></idno></publicationStmt><seriesStmt><idno type="stamp" n="LJK_MAD_EDP" p="LJK_MAD">EDP</idno><idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno><idno type="stamp" n="INRIA">INRIA - Institut National de Recherche en Informatique et en Automatique</idno><idno type="stamp" n="UNIV-GRENOBLE1" p="UGA">Université Joseph Fourier - Grenoble I</idno><idno type="stamp" n="INRIA-RHA">INRIA Grenoble - Rhône-Alpes</idno><idno type="stamp" n="ISIR" p="UPMC">Institut des Systèmes Intelligents et de Robotique</idno><idno type="stamp" n="UPMC">Université Pierre et Marie Curie</idno><idno type="stamp" n="INPG" p="UGA">Institut polytechnique de Grenoble</idno><idno type="stamp" n="UGA">HAL Grenoble Alpes</idno><idno type="stamp" n="LJK_MAD_NANO-D" p="LJK_MAD">NANO-D</idno><idno type="stamp" n="LJK_MAD" p="LJK">Département Modèles et Algorithmes Déterministes</idno><idno type="stamp" n="LJK" p="UGA">Laboratoire Jean Kuntzmann</idno><idno type="stamp" n="UVSQ">Université de Versailles Saint-Quentin-en-Yvelines</idno><idno type="stamp" n="UNIV-PMF_GRENOBLE" p="UGA">Université Pierre-Mendès-France - Grenoble II</idno><idno type="stamp" n="LISV">Laboratoire d'Ingénierie des Systèmes de Versailles </idno><idno type="stamp" n="INRIA_TEST">INRIA - Institut National de Recherche en Informatique et en Automatique</idno></seriesStmt><notesStmt><note type="audience" n="2">International</note><note type="popular" n="0">No</note><note type="peer" n="1">Yes</note></notesStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Comparing position and force control for interactive molecular simulators with haptic feedback</title><author role="aut"><persName><forename type="first">Aude</forename><surname>Bolopion</surname></persName><email>aude.bolopion@isir.upmc.fr</email><idno type="halAuthorId">557696</idno><affiliation ref="#struct-96164"></affiliation></author><author role="aut"><persName><forename type="first">Barthelemy</forename><surname>Cagneau</surname></persName><idno type="halAuthorId">406543</idno><affiliation ref="#struct-70384"></affiliation></author><author role="aut"><persName><forename type="first">Stephane</forename><surname>Redon</surname></persName><email>stephane.redon@inria.fr</email><ptr type="url" target="http://nano-d.inrialpes.fr/~redon"></ptr><idno type="halAuthorId">781213</idno><orgName ref="#struct-300009"></orgName><affiliation ref="#struct-55137"></affiliation></author><author role="aut"><persName><forename type="first">Stéphane</forename><surname>Régnier</surname></persName><email>stephane.regnier@isir.upmc.fr</email><idno type="halAuthorId">650964</idno><affiliation ref="#struct-96164"></affiliation></author></analytic><monogr><idno type="halJournalId" status="VALID">15818</idno><idno type="issn">1093-3263</idno><title level="j">Journal of Molecular Graphics and Modelling</title><imprint><publisher>Elsevier</publisher><biblScope unit="volume">29</biblScope><biblScope unit="issue">2</biblScope><biblScope unit="pp">280-289</biblScope><date type="datePub">2010-09-02</date></imprint></monogr><idno type="doi">10.1016/j.jmgm.2010.06.003</idno></biblStruct></sourceDesc><profileDesc><langUsage><language ident="en">English</language></langUsage><textClass><keywords scheme="author"><term xml:lang="en">Molecular simulation</term><term xml:lang="en">Haptic coupling</term><term xml:lang="en">Force feedback</term><term xml:lang="en">Transparency</term><term xml:lang="en">Stability</term></keywords><classCode scheme="halDomain" n="info.info-mo">Computer Science [cs]/Modeling and Simulation</classCode><classCode scheme="halTypology" n="ART">Journal articles</classCode></textClass><abstract xml:lang="en">This paper presents a novel tool for the analysis of new molecular structures which enables a wide variety of manipulations. It is composed of a molecular simulator and a haptic device. The simulation software deals with systems of hundreds or thousands of degrees of freedom and computes the reconfiguration of the molecules in a few tenths of a second. For the ease of manipulation and to help the operator understand nanoscale phenomena, a haptic device is connected to the simulator. To handle a wide variety of applications, both position and force control are implemented. To our knowledge, this is the first time the applications of force control are detailed for molecular simulation. These two control modes are compared in terms of adequacy with molecular dynamics, transparency and stability sensitivity with respect to environmental conditions. Based on their specificity the operations they can realize are detailed. Experiments highlight the usability of our tool for the different steps of the analysis of molecular structures. It includes the global reconfiguration of a molecular system, the measurement of molecular properties and the comprehension of nanoscale interactions. Compared to most existing systems, the one developed in this paper offers a wide range of possible experiments. The detailed analysis of the properties of the control modes can be easily used to implement haptic feedback on other molecular simulators.</abstract></profileDesc></hal></record>Pour manipuler ce document sous Unix (Dilib)
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