DocumentCode :
3302961
Title :
A novel virtual environment for molecular system design
Author :
Alsayegh, Rajab ; Paramonov, Leonid ; Makatsoris, Charalampos
Author_Institution :
Sch. of Eng. & Design, Brunel Univ., Uxbridge, UK
fYear :
2013
fDate :
15-17 July 2013
Firstpage :
37
Lastpage :
42
Abstract :
In this paper a novel, highly interactive virtual environment for molecular design using gesture recognition is presented. The system is novel in its concept as it enables the user to directly manipulate molecular structures on the screen, in 3D space, allowing the exploration and visualisation of molecular interactions at different relative conformations. By a series of gestures, the user can pick and place molecular fragments and direct bond breaking and bond creating on the screen, which ultimately leading to chemically realisable molecular structures. Rigorous computational chemistry calculations assess the stereo-chemical feasibility and the interaction between those fragments as the user manipulates those objects on the screen. Users with limited knowledge of the structure of the molecules, who want to simulate the forces required for combining and separating the molecules, can use body gestures to interact with the digital world without using peripheral devices such as a keyboard and a mouse.
Keywords :
bonds (chemical); chemistry computing; computer vision; data visualisation; gesture recognition; molecular dynamics method; screens (display); virtual reality; 3D space; body gestures; bond creating; chemically realisable molecular structures; digital world; direct bond breaking; gesture recognition; highly interactive virtual environment; molecular fragments; molecular interaction exploration; molecular interaction visualisation; molecular structure manipulation; molecular system design; rigorous computational chemistry calculation; screen; stereochemical feasibility; Computational modeling; Heuristic algorithms; Materials; Robot sensing systems; Three-dimensional displays; Virtual environments; Visualization; Computer Vision (CV); Gestures Recognition; Materiasl Design; Molecular Dynamics (MD); Molecule Design; Virtual Environments;
fLanguage :
English
Publisher :
ieee
Conference_Titel :
Computational Intelligence and Virtual Environments for Measurement Systems and Applications (CIVEMSA), 2013 IEEE International Conference on
Conference_Location :
Milan
Print_ISBN :
978-1-4673-4701-3
Type :
conf
DOI :
10.1109/CIVEMSA.2013.6617392
Filename :
6617392
Link To Document :
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